N-(1-methylpyrazol-3-yl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: N-(1-methylpyrazol-3-yl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: N-(1-methylpyrazol-3-yl)-4-methylsulfanyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: N-(1-methyl-3-pyrazolyl)-4-(methylthio)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: N-(1-methylpyrazol-3-yl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: N-(1-methylpyrazol-3-yl)-4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C17H22N4O3S2 MolecularWeight: 394.51158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=O)C(CCSC)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CN1C=CC(=N1)NC(=O)C(CCSC)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C17H22N4O3S2/c1-21-11-8-16(19-21)18-17(22)15(9-12-25-2)20-26(23,24)13-10-14-6-4-3-5-7-14/h3-8,10-11,13,15,20H,9,12H2,1-2H3,(H,18,19,22)/b13-10+