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

Systemtic Name: 4-[(4-chlorophenyl)sulfonyl-(1,2-diphenylbenzimidazol-5-yl)amino]butanoic acid Openeye Name: 4-[(4-chlorophenyl)sulfonyl-(1,2-diphenylbenzimidazol-5-yl)amino]butanoic acid CAS Name: 4-[(4-chlorophenyl)sulfonyl-(1,2-diphenyl-5-benzimidazolyl)amino]butanoic acid IUPAC Name: 4-[(4-chlorophenyl)sulfonyl-(1,2-diphenylbenzimidazol-5-yl)amino]butanoic acid Traditional Name: 4-[(4-chlorophenyl)sulfonyl-(1,2-diphenylbenzimidazol-5-yl)amino]butyric acid Formula: C29H24ClN3O4S MolecularWeight: 546.03656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H24ClN3O4S/c30-22-13-16-25(17-14-22)38(36,37)32(19-7-12-28(34)35)24-15-18-27-26(20-24)31-29(21-8-3-1-4-9-21)33(27)23-10-5-2-6-11-23/h1-6,8-11,13-18,20H,7,12,19H2,(H,34,35)