4-[4-[2-[3-(1H-benzimidazol-2-ylamino)phenyl]ethyl]phenyl]sulfonyl-3-phenyl-butanoic acid

Systemtic Name: 4-[4-[2-[3-(1H-benzimidazol-2-ylamino)phenyl]ethyl]phenyl]sulfonyl-3-phenyl-butanoic acid Openeye Name: 4-[4-[2-[3-(1H-benzimidazol-2-ylamino)phenyl]ethyl]phenyl]sulfonyl-3-phenyl-butanoic acid CAS Name: 4-[4-[2-[3-(1H-benzimidazol-2-ylamino)phenyl]ethyl]phenyl]sulfonyl-3-phenylbutanoic acid IUPAC Name: 4-[4-[2-[3-(1H-benzimidazol-2-ylamino)phenyl]ethyl]phenyl]sulfonyl-3-phenylbutanoic acid Traditional Name: 4-[4-[2-[3-(1H-benzimidazol-2-ylamino)phenyl]ethyl]phenyl]sulfonyl-3-phenyl-butyric acid Formula: C31H29N3O4S MolecularWeight: 539.64466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)CS(=O)(=O)C2=CC=C(C=C2)CCC3=CC(=CC=C3)NC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)CS(=O)(=O)C2=CC=C(C=C2)CCC3=CC(=CC=C3)NC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C31H29N3O4S/c35-30(36)20-25(24-8-2-1-3-9-24)21-39(37,38)27-17-15-22(16-18-27)13-14-23-7-6-10-26(19-23)32-31-33-28-11-4-5-12-29(28)34-31/h1-12,15-19,25H,13-14,20-21H2,(H,35,36)(H2,32,33,34)