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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(4-phenylbutan-2-ylamino)butan-2-yl]piperidine-4-carboxamide Openeye Name: N-[1-[(1-methyl-3-phenyl-propyl)carbamoyl]-3-methylsulfanyl-propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[4-(methylthio)-1-oxo-1-(4-phenylbutan-2-ylamino)butan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[4-methylsulfanyl-1-oxo-1-(4-phenylbutan-2-ylamino)butan-2-yl]piperidine-4-carboxamide Traditional Name: N-[1-[(1-methyl-3-phenyl-propyl)carbamoyl]-3-(methylthio)propyl]-1-tosyl-isonipecotamide Formula: C28H39N3O4S2 MolecularWeight: 545.75696

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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)NC(C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)NC(C)CCC3=CC=CC=C3

InChI

InChI=1S/C28H39N3O4S2/c1-21-9-13-25(14-10-21)37(34,35)31-18-15-24(16-19-31)27(32)30-26(17-20-36-3)28(33)29-22(2)11-12-23-7-5-4-6-8-23/h4-10,13-14,22,24,26H,11-12,15-20H2,1-3H3,(H,29,33)(H,30,32)