N-[2-(4-methylphenyl)sulfanylethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: 1-(2-nitrophenyl)-N-[2-(p-tolylsulfanyl)ethyl]piperidine-4-carboxamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(2-nitrophenyl)-N-[2-(p-tolylthio)ethyl]isonipecotamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3S/c1-16-6-8-18(9-7-16)28-15-12-22-21(25)17-10-13-23(14-11-17)19-4-2-3-5-20(19)24(26)27/h2-9,17H,10-15H2,1H3,(H,22,25)