1-[4-[[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-[[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]piperidine-4-carboxylic acid CAS Name: 1-[4-[[2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]isonipecotic acid Formula: C23H24N4O6S MolecularWeight: 484.52486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)N5CCC(CC5)C(=O)O

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)N5CCC(CC5)C(=O)O

InChI

InChI=1S/C23H24N4O6S/c28-21(14-1-2-14)26-23-24-19-8-5-17(13-20(19)25-23)33-34(31,32)18-6-3-16(4-7-18)27-11-9-15(10-12-27)22(29)30/h3-8,13-15H,1-2,9-12H2,(H,29,30)(H2,24,25,26,28)