4-[[4-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonylphenyl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: 4-[[4-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonylphenyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: 4-[4-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonylanilino]-4-oxo-but-2-enoate CAS Name: 4-[4-[(4,6-dimethyl-2-pyrimidinyl)azanidylsulfonyl]anilino]-4-oxo-2-butenoate IUPAC Name: 4-[4-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonylanilino]-4-oxobut-2-enoate Traditional Name: 4-[4-(4,6-dimethylpyrimidin-2-yl)azanidylsulfonylanilino]-4-keto-but-2-enoate Formula: C16H14N4O5S-2 MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC(=O)[O-])C

InChI

InChI=1S/C16H16N4O5S/c1-10-9-11(2)18-16(17-10)20-26(24,25)13-5-3-12(4-6-13)19-14(21)7-8-15(22)23/h3-9H,1-2H3,(H3,17,18,19,20,21,22,23)/p-2