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

Systemtic Name: N-(1-methylpyrazol-3-yl)-4-methylsulfonyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: N-(1-methylpyrazol-3-yl)-4-methylsulfonyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: N-(1-methyl-3-pyrazolyl)-4-methylsulfonyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: N-(1-methylpyrazol-3-yl)-4-methylsulfonyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: 4-mesyl-N-(1-methylpyrazol-3-yl)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C17H22N4O5S2 MolecularWeight: 426.51038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O5S2/c1-21-11-8-16(19-21)18-17(22)15(10-12-27(2,23)24)20-28(25,26)13-9-14-6-4-3-5-7-14/h3-9,11,13,15,20H,10,12H2,1-2H3,(H,18,19,22)/b13-9+