N-(1-methylpyrazol-3-yl)-2,4-bis(oxidanylidene)-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide

Systemtic Name: N-(1-methylpyrazol-3-yl)-2,4-bis(oxidanylidene)-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide Openeye Name: N-(1-methylpyrazol-3-yl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide CAS Name: N-(1-methyl-3-pyrazolyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide IUPAC Name: N-(1-methylpyrazol-3-yl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide Traditional Name: 2,4-diketo-N-(1-methylpyrazol-3-yl)-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide Formula: C13H13N5O4S MolecularWeight: 335.33842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC(=O)N3

Isomeric SMILES

CN1C=CC(=N1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC(=O)N3

InChI

InChI=1S/C13H13N5O4S/c1-18-5-4-11(16-18)17-23(21,22)8-2-3-9-10(6-8)15-13(20)7-12(19)14-9/h2-6H,7H2,1H3,(H,14,19)(H,15,20)(H,16,17)