[2-[[2-(cyclopentylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[[2-(cyclopentylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[2-[(cyclopentylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-[2-(cyclopentylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)NC3CCCC3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)NC3CCCC3

InChI

InChI=1S/C21H29N3O6S/c1-31(28,29)24-12-10-15(11-13-24)21(27)30-14-19(25)23-18-9-5-4-8-17(18)20(26)22-16-6-2-3-7-16/h4-5,8-9,15-16H,2-3,6-7,10-14H2,1H3,(H,22,26)(H,23,25)