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

Systemtic Name: [2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3,3-diphenylpropylamino)-2-oxo-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [2-(3,3-diphenylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,3-diphenylpropylamino)-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [2-(3,3-diphenylpropylamino)-2-keto-ethyl] ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H32N2O5S/c1-2-33(30,31)27-17-14-22(15-18-27)25(29)32-19-24(28)26-16-13-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22-23H,2,13-19H2,1H3,(H,26,28)