6-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfonyl]-6-methyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 6-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfonyl]-6-methyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: 6-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfonyl]-6-methyl-cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-[[(4,6-dimethyl-2-pyrimidinyl)amino]-oxomethyl]sulfonyl-6-methyl-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 6-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfonyl]-6-methylcyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfonyl]-6-methyl-cyclohexa-2,4-diene-1-carboxylate Formula: C15H16N3O5S- MolecularWeight: 350.36964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)S(=O)(=O)C2(C=CC=CC2C(=O)[O-])C)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)S(=O)(=O)C2(C=CC=CC2C(=O)[O-])C)C

InChI

InChI=1S/C15H17N3O5S/c1-9-8-10(2)17-13(16-9)18-14(21)24(22,23)15(3)7-5-4-6-11(15)12(19)20/h4-8,11H,1-3H3,(H,19,20)(H,16,17,18,21)/p-1