6-[(1,2-diphenylbenzimidazol-5-yl)-(4-fluorophenyl)sulfonyl-amino]hexanoic acid

Systemtic Name: 6-[(1,2-diphenylbenzimidazol-5-yl)-(4-fluorophenyl)sulfonyl-amino]hexanoic acid Openeye Name: 6-[(1,2-diphenylbenzimidazol-5-yl)-(4-fluorophenyl)sulfonyl-amino]hexanoic acid CAS Name: 6-[(1,2-diphenyl-5-benzimidazolyl)-(4-fluorophenyl)sulfonylamino]hexanoic acid IUPAC Name: 6-[(1,2-diphenylbenzimidazol-5-yl)-(4-fluorophenyl)sulfonylamino]hexanoic acid Traditional Name: 6-[(1,2-diphenylbenzimidazol-5-yl)-(4-fluorophenyl)sulfonyl-amino]hexanoic acid Formula: C31H28FN3O4S MolecularWeight: 557.635123

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(CCCCCC(=O)O)S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(N2C4=CC=CC=C4)C=CC(=C3)N(CCCCCC(=O)O)S(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H28FN3O4S/c32-24-15-18-27(19-16-24)40(38,39)34(21-9-3-8-14-30(36)37)26-17-20-29-28(22-26)33-31(23-10-4-1-5-11-23)35(29)25-12-6-2-7-13-25/h1-2,4-7,10-13,15-20,22H,3,8-9,14,21H2,(H,36,37)