[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonylisonipecotic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C19H24N2O6S MolecularWeight: 408.46866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3CC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3CC3

InChI

InChI=1S/C19H24N2O6S/c1-13(22)15-3-2-4-17(11-15)28(25,26)21-9-7-14(8-10-21)19(24)27-12-18(23)20-16-5-6-16/h2-4,11,14,16H,5-10,12H2,1H3,(H,20,23)