2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-5-(3-imidazol-1-ylpropylsulfamoyl)benzenesulfonic acid

Systemtic Name: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-5-(3-imidazol-1-ylpropylsulfamoyl)benzenesulfonic acid Openeye Name: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-5-(3-imidazol-1-ylpropylsulfamoyl)benzenesulfonic acid CAS Name: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-5-[3-(1-imidazolyl)propylsulfamoyl]benzenesulfonic acid IUPAC Name: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-5-(3-imidazol-1-ylpropylsulfamoyl)benzenesulfonic acid Traditional Name: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-5-(3-imidazol-1-ylpropylsulfamoyl)besylic acid Formula: C33H41N5O6S2 MolecularWeight: 667.83854

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(CC)CC)C4=C(C=C(C=C4)S(=O)(=O)NCCCN5C=CN=C5)S(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(CC)CC)C4=C(C=C(C=C4)S(=O)(=O)NCCCN5C=CN=C5)S(=O)(=O)O

InChI

InChI=1S/C33H41N5O6S2/c1-5-37(6-2)24-10-13-27-30(20-24)44-31-21-25(38(7-3)8-4)11-14-28(31)33(27)29-15-12-26(22-32(29)46(41,42)43)45(39,40)35-16-9-18-36-19-17-34-23-36/h10-15,17,19-23,33,35H,5-9,16,18H2,1-4H3,(H,41,42,43)