[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [2-[[(2,3-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [2-[(2,3-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC(=O)NC2=CC=CC(=C2C)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC(=O)NC2=CC=CC(=C2C)C

InChI

InChI=1S/C19H27N3O6S/c1-4-29(26,27)22-10-8-15(9-11-22)18(24)28-12-17(23)21-19(25)20-16-7-5-6-13(2)14(16)3/h5-7,15H,4,8-12H2,1-3H3,(H2,20,21,23,25)