2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-methylsulfanyl-2-(p-tolylsulfonylamino)-N-(3-pyridylmethyl)butanamide CAS Name: 2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-(methylthio)-N-(3-pyridylmethyl)-2-(tosylamino)butyramide Formula: C18H23N3O3S2 MolecularWeight: 393.52352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=CN=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=CN=CC=C2

InChI

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