7-[(4-chlorophenyl)sulfonyl-(1,2-diphenylbenzimidazol-5-yl)amino]heptanoic acid

Systemtic Name: 7-[(4-chlorophenyl)sulfonyl-(1,2-diphenylbenzimidazol-5-yl)amino]heptanoic acid Openeye Name: 7-[(4-chlorophenyl)sulfonyl-(1,2-diphenylbenzimidazol-5-yl)amino]heptanoic acid CAS Name: 7-[(4-chlorophenyl)sulfonyl-(1,2-diphenyl-5-benzimidazolyl)amino]heptanoic acid IUPAC Name: 7-[(4-chlorophenyl)sulfonyl-(1,2-diphenylbenzimidazol-5-yl)amino]heptanoic acid Traditional Name: 7-[(4-chlorophenyl)sulfonyl-(1,2-diphenylbenzimidazol-5-yl)amino]enanthic acid Formula: C32H30ClN3O4S MolecularWeight: 588.1163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(N2C4=CC=CC=C4)C=CC(=C3)N(CCCCCCC(=O)O)S(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(N2C4=CC=CC=C4)C=CC(=C3)N(CCCCCCC(=O)O)S(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C32H30ClN3O4S/c33-25-16-19-28(20-17-25)41(39,40)35(22-10-2-1-9-15-31(37)38)27-18-21-30-29(23-27)34-32(24-11-5-3-6-12-24)36(30)26-13-7-4-8-14-26/h3-8,11-14,16-21,23H,1-2,9-10,15,22H2,(H,37,38)