1-[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxamide Openeye Name: 1-[4-methylsulfanyl-2-(p-tolylsulfonylamino)butanoyl]piperidine-4-carboxamide CAS Name: 1-[2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]piperidine-4-carboxamide Traditional Name: 1-[4-(methylthio)-2-(tosylamino)butanoyl]isonipecotamide Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S2/c1-13-3-5-15(6-4-13)27(24,25)20-16(9-12-26-2)18(23)21-10-7-14(8-11-21)17(19)22/h3-6,14,16,20H,7-12H2,1-2H3,(H2,19,22)