(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylnipecotic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OC(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OC(C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C20H21ClN2O5S/c21-16-8-10-17(11-9-16)29(26,27)23-12-4-7-15(13-23)20(25)28-18(19(22)24)14-5-2-1-3-6-14/h1-3,5-6,8-11,15,18H,4,7,12-13H2,(H2,22,24)