2-(4-methoxyphenyl)sulfonyl-5-(1-methylimidazol-4-yl)sulfonyl-3H-1,2-diazepine-1-carboxylic acid

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-5-(1-methylimidazol-4-yl)sulfonyl-3H-1,2-diazepine-1-carboxylic acid Openeye Name: 2-(4-methoxyphenyl)sulfonyl-5-(1-methylimidazol-4-yl)sulfonyl-3H-diazepine-1-carboxylic acid CAS Name: 2-(4-methoxyphenyl)sulfonyl-5-[(1-methyl-4-imidazolyl)sulfonyl]-3H-diazepine-1-carboxylic acid IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-5-(1-methylimidazol-4-yl)sulfonyl-3H-diazepine-1-carboxylic acid Traditional Name: 2-(4-methoxyphenyl)sulfonyl-5-(1-methylimidazol-4-yl)sulfonyl-3H-diazepine-1-carboxylic acid Formula: C17H18N4O7S2 MolecularWeight: 454.47742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O7S2/c1-19-11-16(18-12-19)29(24,25)14-7-9-20(17(22)23)21(10-8-14)30(26,27)15-5-3-13(28-2)4-6-15/h3-9,11-12H,10H2,1-2H3,(H,22,23)