2,4-dinitro-N-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]benzenesulfonamide

Systemtic Name: 2,4-dinitro-N-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]benzenesulfonamide Openeye Name: 2,4-dinitro-N-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]benzenesulfonamide CAS Name: 2,4-dinitro-N-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]benzenesulfonamide IUPAC Name: 2,4-dinitro-N-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]benzenesulfonamide Traditional Name: 2,4-dinitro-N-[4-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)phenyl]benzenesulfonamide Formula: C50H33N7O6S MolecularWeight: 859.90532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)NS(=O)(=O)C8=C(C=C(C=C8)[N+](=O)[O-])[N+](=O)[O-])C9=CC=CC=C9)C1=CC=CC=C1)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)NS(=O)(=O)C8=C(C=C(C=C8)[N+](=O)[O-])[N+](=O)[O-])C9=CC=CC=C9)C1=CC=CC=C1)N3

InChI

InChI=1S/C50H33N7O6S/c58-56(59)36-20-29-46(45(30-36)57(60)61)64(62,63)55-35-18-16-34(17-19-35)50-43-27-25-41(53-43)48(32-12-6-2-7-13-32)39-23-21-37(51-39)47(31-10-4-1-5-11-31)38-22-24-40(52-38)49(33-14-8-3-9-15-33)42-26-28-44(50)54-42/h1-30,51-52,55H