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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C19H26N2O6S MolecularWeight: 410.48454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3CC3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3CC3

InChI

InChI=1S/C19H26N2O6S/c1-2-26-16-5-7-17(8-6-16)28(24,25)21-11-9-14(10-12-21)19(23)27-13-18(22)20-15-3-4-15/h5-8,14-15H,2-4,9-13H2,1H3,(H,20,22)