3-[[2-[2-(phenylmethyl)sulfonylbenzimidazol-1-yl]ethanoylamino]methyl]benzoic acid

Systemtic Name: 3-[[2-[2-(phenylmethyl)sulfonylbenzimidazol-1-yl]ethanoylamino]methyl]benzoic acid Openeye Name: 3-[[[2-(2-benzylsulfonylbenzimidazol-1-yl)acetyl]amino]methyl]benzoic acid CAS Name: 3-[[[1-oxo-2-[2-(phenylmethyl)sulfonyl-1-benzimidazolyl]ethyl]amino]methyl]benzoic acid IUPAC Name: 3-[[[2-(2-benzylsulfonylbenzimidazol-1-yl)acetyl]amino]methyl]benzoic acid Traditional Name: 3-[[[2-(2-benzylsulfonylbenzimidazol-1-yl)acetyl]amino]methyl]benzoic acid Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=NC3=CC=CC=C3N2CC(=O)NCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=NC3=CC=CC=C3N2CC(=O)NCC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C24H21N3O5S/c28-22(25-14-18-9-6-10-19(13-18)23(29)30)15-27-21-12-5-4-11-20(21)26-24(27)33(31,32)16-17-7-2-1-3-8-17/h1-13H,14-16H2,(H,25,28)(H,29,30)