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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(phenethylamino)butan-2-yl]piperidine-4-carboxamide Openeye Name: N-[3-methylsulfanyl-1-(phenethylcarbamoyl)propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[4-(methylthio)-1-oxo-1-(phenethylamino)butan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[4-methylsulfanyl-1-oxo-1-(phenethylamino)butan-2-yl]piperidine-4-carboxamide Traditional Name: N-[3-(methylthio)-1-(phenethylcarbamoyl)propyl]-1-tosyl-isonipecotamide Formula: C26H35N3O4S2 MolecularWeight: 517.7038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O4S2/c1-20-8-10-23(11-9-20)35(32,33)29-17-13-22(14-18-29)25(30)28-24(15-19-34-2)26(31)27-16-12-21-6-4-3-5-7-21/h3-11,22,24H,12-19H2,1-2H3,(H,27,31)(H,28,30)