N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]-4-methylsulfonyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]-4-methylsulfonyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylsulfonyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylsulfonyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylsulfonyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: N-[(2-keto-4,6-dimethyl-1H-pyridin-3-yl)methyl]-4-mesyl-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)CNC(=O)C(CCS(=O)(=O)C)NS(=O)(=O)C=CC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1)CNC(=O)C(CCS(=O)(=O)C)NS(=O)(=O)/C=C/C2=CC=CC=C2)C

InChI

InChI=1S/C21H27N3O6S2/c1-15-13-16(2)23-20(25)18(15)14-22-21(26)19(10-11-31(3,27)28)24-32(29,30)12-9-17-7-5-4-6-8-17/h4-9,12-13,19,24H,10-11,14H2,1-3H3,(H,22,26)(H,23,25)/b12-9+