methyl 1-[2-(4-nitrophenyl)sulfanylpropanoyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(4-nitrophenyl)sulfanylpropanoyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-nitrophenyl)sulfanylpropanoyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[2-[(4-nitrophenyl)thio]-1-oxopropyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-nitrophenyl)sulfanylpropanoyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[2-[(4-nitrophenyl)thio]propanoyl]-4-phenyl-isonipecotic acid methyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O5S/c1-16(30-19-10-8-18(9-11-19)24(27)28)20(25)23-14-12-22(13-15-23,21(26)29-2)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3