[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C)C

InChI

InChI=1S/C17H24N2O5S/c1-12-5-4-6-15(13(12)2)18-16(20)11-24-17(21)14-7-9-19(10-8-14)25(3,22)23/h4-6,14H,7-11H2,1-3H3,(H,18,20)