ethyl (3S)-1-[4-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[4-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[oxo-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[4-[(2-keto-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]nipecotic acid ethyl ester Formula: C22H24N4O6S MolecularWeight: 472.51416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C22H24N4O6S/c1-2-32-21(28)15-4-3-11-26(13-15)20(27)14-5-7-16(8-6-14)25-33(30,31)17-9-10-18-19(12-17)24-22(29)23-18/h5-10,12,15,25H,2-4,11,13H2,1H3,(H2,23,24,29)/t15-/m0/s1