2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-methylsulfanyl-N-[[2-(1-piperidylmethyl)phenyl]methyl]-2-(p-tolylsulfonylamino)butanamide CAS Name: 2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-N-[[2-(1-piperidinylmethyl)phenyl]methyl]butanamide IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-(methylthio)-N-[2-(piperidinomethyl)benzyl]-2-(tosylamino)butyramide Formula: C25H35N3O3S2 MolecularWeight: 489.6937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=CC=CC=C2CN3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=CC=CC=C2CN3CCCCC3

InChI

InChI=1S/C25H35N3O3S2/c1-20-10-12-23(13-11-20)33(30,31)27-24(14-17-32-2)25(29)26-18-21-8-4-5-9-22(21)19-28-15-6-3-7-16-28/h4-5,8-13,24,27H,3,6-7,14-19H2,1-2H3,(H,26,29)