3-[8,13-bis(ethenyl)-3,7,12,17-tetramethyl-18-[3-oxidanylidene-3-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino]propyl]porphyrin-21,24-diid-2-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide; iron(3+); chloride

Systemtic Name: 3-[8,13-bis(ethenyl)-3,7,12,17-tetramethyl-18-[3-oxidanylidene-3-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino]propyl]porphyrin-21,24-diid-2-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide; iron(3+); chloride Openeye Name: ferric 3-[3,7,12,17-tetramethyl-18-[3-oxo-3-[4-(thiazol-2-ylsulfamoyl)anilino]propyl]-8,13-divinyl-porphyrin-21,24-diid-2-yl]-N-[4-(thiazol-2-ylsulfamoyl)phenyl]propanamide chloride CAS Name: 3-[8,13-bis(ethenyl)-3,7,12,17-tetramethyl-18-[3-oxo-3-[4-(2-thiazolylsulfamoyl)anilino]propyl]-2-porphyrin-21,24-diidyl]-N-[4-(2-thiazolylsulfamoyl)phenyl]propanamide; iron(3+); chloride IUPAC Name: 3-[8,13-bis(ethenyl)-3,7,12,17-tetramethyl-18-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]porphyrin-21,24-diid-2-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide; iron(3+); chloride Traditional Name: ferric 3-[18-[3-keto-3-[4-(thiazol-2-ylsulfamoyl)anilino]propyl]-3,7,12,17-tetramethyl-8,13-divinyl-porphine-21,24-diid-2-yl]-N-[4-(thiazol-2-ylsulfamoyl)phenyl]propionamide chloride Formula: C52H46ClFeN10O6S4 MolecularWeight: 1126.54304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C)CCC(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC=CS7)CCC(=O)NC8=CC=C(C=C8)S(=O)(=O)NC9=NC=CS9.[Cl-].[Fe+3]

Isomeric SMILES

CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C)CCC(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC=CS7)CCC(=O)NC8=CC=C(C=C8)S(=O)(=O)NC9=NC=CS9.[Cl-].[Fe+3]

InChI

InChI=1S/C52H48N10O6S4.ClH.Fe/c1-7-37-29(3)41-25-42-31(5)39(17-19-49(63)55-33-9-13-35(14-10-33)71(65,66)61-51-53-21-23-69-51)47(59-42)28-48-40(32(6)44(60-48)27-46-38(8-2)30(4)43(58-46)26-45(37)57-41)18-20-50(64)56-34-11-15-36(16-12-34)72(67,68)62-52-54-22-24-70-52;;/h7-16,21-28H,1-2,17-20H2,3-6H3,(H6,53,54,55,56,57,58,59,60,61,62,63,64);1H;/q;;+3/p-3