methyl 2-[1-cyano-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethenyl]sulfonylbenzoate

Systemtic Name: methyl 2-[1-cyano-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethenyl]sulfonylbenzoate Openeye Name: methyl 2-[1-cyano-2-[(4,6-dimethylpyrimidin-2-yl)amino]vinyl]sulfonylbenzoate CAS Name: 2-[1-cyano-2-[(4,6-dimethyl-2-pyrimidinyl)amino]ethenyl]sulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-[1-cyano-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethenyl]sulfonylbenzoate Traditional Name: 2-[1-cyano-2-[(4,6-dimethylpyrimidin-2-yl)amino]vinyl]sulfonylbenzoic acid methyl ester Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC=C(C#N)S(=O)(=O)C2=CC=CC=C2C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC=C(C#N)S(=O)(=O)C2=CC=CC=C2C(=O)OC)C

InChI

InChI=1S/C17H16N4O4S/c1-11-8-12(2)21-17(20-11)19-10-13(9-18)26(23,24)15-7-5-4-6-14(15)16(22)25-3/h4-8,10H,1-3H3,(H,19,20,21)