methyl (E)-4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: methyl (E)-4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: methyl (E)-4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxo-but-2-enoate CAS Name: (E)-4-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-4-oxo-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobut-2-enoate Traditional Name: (E)-4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-keto-but-2-enoic acid methyl ester Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C(=O)OC)C

InChI

InChI=1S/C17H18N4O5S/c1-11-10-12(2)19-17(18-11)21-27(24,25)14-6-4-13(5-7-14)20-15(22)8-9-16(23)26-3/h4-10H,1-3H3,(H,20,22)(H,18,19,21)/b9-8+