[2-[[3-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[[3-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[3-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-[3-(cyclopropylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3

InChI

InChI=1S/C19H25N3O6S/c1-29(26,27)22-9-7-13(8-10-22)19(25)28-12-17(23)20-16-4-2-3-14(11-16)18(24)21-15-5-6-15/h2-4,11,13,15H,5-10,12H2,1H3,(H,20,23)(H,21,24)