1-[[6-[4-(cyclopentylamino)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]carbamoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[6-[4-(cyclopentylamino)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]carbamoyl]piperidine-4-carboxylic acid Openeye Name: 1-[[6-[4-(cyclopentylamino)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]carbamoyl]piperidine-4-carboxylic acid CAS Name: 1-[[[6-[4-(cyclopentylamino)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]amino]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[6-[4-(cyclopentylamino)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]carbamoyl]piperidine-4-carboxylic acid Traditional Name: 1-[[6-[4-(cyclopentylamino)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]carbamoyl]isonipecotic acid Formula: C25H29N5O6S MolecularWeight: 527.59266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)N5CCC(CC5)C(=O)O

Isomeric SMILES

C1CCC(C1)NC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)N5CCC(CC5)C(=O)O

InChI

InChI=1S/C25H29N5O6S/c31-23(32)16-11-13-30(14-12-16)25(33)29-24-27-21-10-7-19(15-22(21)28-24)36-37(34,35)20-8-5-18(6-9-20)26-17-3-1-2-4-17/h5-10,15-17,26H,1-4,11-14H2,(H,31,32)(H2,27,28,29,33)