2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(4-piperidin-1-ylphenyl)butanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(4-piperidin-1-ylphenyl)butanamide Openeye Name: 4-methylsulfanyl-N-[4-(1-piperidyl)phenyl]-2-(p-tolylsulfonylamino)butanamide CAS Name: 2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-N-[4-(1-piperidinyl)phenyl]butanamide IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(4-piperidin-1-ylphenyl)butanamide Traditional Name: 4-(methylthio)-N-(4-piperidinophenyl)-2-(tosylamino)butyramide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=CC=C(C=C2)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=CC=C(C=C2)N3CCCCC3

InChI

InChI=1S/C23H31N3O3S2/c1-18-6-12-21(13-7-18)31(28,29)25-22(14-17-30-2)23(27)24-19-8-10-20(11-9-19)26-15-4-3-5-16-26/h6-13,22,25H,3-5,14-17H2,1-2H3,(H,24,27)