1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[2-(p-tolylsulfanyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[2-[(4-methylphenyl)thio]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[2-(p-tolylthio)ethyl]isonipecotamide Formula: C22H27N3O5S2 MolecularWeight: 477.59688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S2/c1-16-3-7-20(8-4-16)31-14-11-23-22(26)18-9-12-24(13-10-18)32(29,30)21-15-19(25(27)28)6-5-17(21)2/h3-8,15,18H,9-14H2,1-2H3,(H,23,26)