7-(4-methoxyphenyl)sulfonyl-5-(1-methylimidazol-4-yl)sulfonyl-1,2-diazepine-1-carboxylic acid

Systemtic Name: 7-(4-methoxyphenyl)sulfonyl-5-(1-methylimidazol-4-yl)sulfonyl-1,2-diazepine-1-carboxylic acid Openeye Name: 7-(4-methoxyphenyl)sulfonyl-5-(1-methylimidazol-4-yl)sulfonyl-diazepine-1-carboxylic acid CAS Name: 7-(4-methoxyphenyl)sulfonyl-5-[(1-methyl-4-imidazolyl)sulfonyl]-1-diazepinecarboxylic acid IUPAC Name: 7-(4-methoxyphenyl)sulfonyl-5-(1-methylimidazol-4-yl)sulfonyldiazepine-1-carboxylic acid Traditional Name: 7-(4-methoxyphenyl)sulfonyl-5-(1-methylimidazol-4-yl)sulfonyl-diazepine-1-carboxylic acid Formula: C17H16N4O7S2 MolecularWeight: 452.46154

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)C2=CC=NN(C(=C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)C2=CC=NN(C(=C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C17H16N4O7S2/c1-20-10-15(18-11-20)29(24,25)14-7-8-19-21(17(22)23)16(9-14)30(26,27)13-5-3-12(28-2)4-6-13/h3-11H,1-2H3,(H,22,23)