2-[(4-methoxyphenyl)sulfonylamino]-7-oxidanylidene-1,4-diazepine-5-carboxylic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonylamino]-7-oxidanylidene-1,4-diazepine-5-carboxylic acid Openeye Name: 2-[(4-methoxyphenyl)sulfonylamino]-7-oxo-1,4-diazepine-5-carboxylic acid CAS Name: 2-[(4-methoxyphenyl)sulfonylamino]-7-oxo-1,4-diazepine-5-carboxylic acid IUPAC Name: 2-[(4-methoxyphenyl)sulfonylamino]-7-oxo-1,4-diazepine-5-carboxylic acid Traditional Name: 7-keto-2-[(4-methoxyphenyl)sulfonylamino]-1,4-diazepine-5-carboxylic acid Formula: C13H11N3O6S MolecularWeight: 337.30794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=O)C=C(N=C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=O)C=C(N=C2)C(=O)O

InChI

InChI=1S/C13H11N3O6S/c1-22-8-2-4-9(5-3-8)23(20,21)16-11-7-14-10(13(18)19)6-12(17)15-11/h2-7H,1H3,(H,18,19)(H,15,16,17)