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

Systemtic Name: 4-[[4-[[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]amino]piperidine-1-carboxylic acid Openeye Name: 4-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]anilino]piperidine-1-carboxylic acid CAS Name: 4-[4-[[2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl]oxysulfonyl]anilino]-1-piperidinecarboxylic acid IUPAC Name: 4-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]anilino]piperidine-1-carboxylic acid Traditional Name: 4-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]anilino]piperidine-1-carboxylic acid Formula: C23H25N5O6S MolecularWeight: 499.5395

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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)NC5CCN(CC5)C(=O)O

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NC5CCN(CC5)C(=O)O

InChI

InChI=1S/C23H25N5O6S/c29-21(14-1-2-14)27-22-25-19-8-5-17(13-20(19)26-22)34-35(32,33)18-6-3-15(4-7-18)24-16-9-11-28(12-10-16)23(30)31/h3-8,13-14,16,24H,1-2,9-12H2,(H,30,31)(H2,25,26,27,29)