3-[(2-cyclopropyl-7-methoxy-1H-benzimidazol-4-yl)sulfonyl]-7-phenyl-heptanoic acid

Systemtic Name: 3-[(2-cyclopropyl-7-methoxy-1H-benzimidazol-4-yl)sulfonyl]-7-phenyl-heptanoic acid Openeye Name: 3-[(2-cyclopropyl-7-methoxy-1H-benzimidazol-4-yl)sulfonyl]-7-phenyl-heptanoic acid CAS Name: 3-[(2-cyclopropyl-7-methoxy-1H-benzimidazol-4-yl)sulfonyl]-7-phenylheptanoic acid IUPAC Name: 3-[(2-cyclopropyl-7-methoxy-1H-benzimidazol-4-yl)sulfonyl]-7-phenylheptanoic acid Traditional Name: 3-[(2-cyclopropyl-7-methoxy-1H-benzimidazol-4-yl)sulfonyl]-7-phenyl-enanthic acid Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)S(=O)(=O)C(CCCCC3=CC=CC=C3)CC(=O)O)N=C(N2)C4CC4

Isomeric SMILES

COC1=C2C(=C(C=C1)S(=O)(=O)C(CCCCC3=CC=CC=C3)CC(=O)O)N=C(N2)C4CC4

InChI

InChI=1S/C24H28N2O5S/c1-31-19-13-14-20(23-22(19)25-24(26-23)17-11-12-17)32(29,30)18(15-21(27)28)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,13-14,17-18H,5-6,9-12,15H2,1H3,(H,25,26)(H,27,28)