(2-azanyl-2-oxidanylidene-ethyl) 1-(3-ethanoylphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 1-(3-ethanoylphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 1-(3-acetylphenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-phenyl-4-piperidinecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 1-(3-acetylphenyl)sulfonyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonyl-4-phenyl-isonipecotic acid (2-amino-2-keto-ethyl) ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)OCC(=O)N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)OCC(=O)N

InChI

InChI=1S/C22H24N2O6S/c1-16(25)17-6-5-9-19(14-17)31(28,29)24-12-10-22(11-13-24,18-7-3-2-4-8-18)21(27)30-15-20(23)26/h2-9,14H,10-13,15H2,1H3,(H2,23,26)