4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepane-5-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepane-5-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepane-5-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[(1-methyl-4-imidazolyl)sulfonyl]-1,4-diazepane-5-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepane-5-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepane-5-carboxylic acid Formula: C17H22N4O7S2 MolecularWeight: 458.50918

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)N2CCC(N(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)N2CCC(N(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C17H22N4O7S2/c1-19-11-16(18-12-19)30(26,27)20-8-7-15(17(22)23)21(10-9-20)29(24,25)14-5-3-13(28-2)4-6-14/h3-6,11-12,15H,7-10H2,1-2H3,(H,22,23)