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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)NC3CC3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)NC3CC3

InChI

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