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

Systemtic Name: 7-(4-methoxyphenyl)sulfonyl-5-(1-methylimidazol-4-yl)sulfonyl-1,2-diazepine-1-carboxamide Openeye Name: 7-(4-methoxyphenyl)sulfonyl-5-(1-methylimidazol-4-yl)sulfonyl-diazepine-1-carboxamide CAS Name: 7-(4-methoxyphenyl)sulfonyl-5-[(1-methyl-4-imidazolyl)sulfonyl]-1-diazepinecarboxamide IUPAC Name: 7-(4-methoxyphenyl)sulfonyl-5-(1-methylimidazol-4-yl)sulfonyldiazepine-1-carboxamide Traditional Name: 7-(4-methoxyphenyl)sulfonyl-5-(1-methylimidazol-4-yl)sulfonyl-diazepine-1-carboxamide Formula: C17H17N5O6S2 MolecularWeight: 451.47678

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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)N

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)N

InChI

InChI=1S/C17H17N5O6S2/c1-21-10-15(19-11-21)29(24,25)14-7-8-20-22(17(18)23)16(9-14)30(26,27)13-5-3-12(28-2)4-6-13/h3-11H,1-2H3,(H2,18,23)