N-[1-(3-methylbutylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(3-methylbutylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(isopentylcarbamoyl)-3-methylsulfanyl-propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(3-methylbutylamino)-4-(methylthio)-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(3-methylbutylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(isoamylcarbamoyl)-3-(methylthio)propyl]-1-tosyl-isonipecotamide Formula: C23H37N3O4S2 MolecularWeight: 483.68758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)NCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)NCCC(C)C

InChI

InChI=1S/C23H37N3O4S2/c1-17(2)9-13-24-23(28)21(12-16-31-4)25-22(27)19-10-14-26(15-11-19)32(29,30)20-7-5-18(3)6-8-20/h5-8,17,19,21H,9-16H2,1-4H3,(H,24,28)(H,25,27)