2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-methylsulfanyl-2-(p-tolylsulfonylamino)-N-(2-pyridylmethyl)butanamide CAS Name: 2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-(methylthio)-N-(2-pyridylmethyl)-2-(tosylamino)butyramide Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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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=N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=CC=CC=N2

InChI

InChI=1S/C18H23N3O3S2/c1-14-6-8-16(9-7-14)26(23,24)21-17(10-12-25-2)18(22)20-13-15-5-3-4-11-19-15/h3-9,11,17,21H,10,12-13H2,1-2H3,(H,20,22)