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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C25H30N2O6S/c1-2-32-21-10-12-22(13-11-21)34(30,31)27-16-14-19(15-17-27)25(29)33-23(18-6-4-3-5-7-18)24(28)26-20-8-9-20/h3-7,10-13,19-20,23H,2,8-9,14-17H2,1H3,(H,26,28)