N-(4-bromanyl-3-methyl-phenyl)-2,4-bis(oxidanylidene)-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2,4-bis(oxidanylidene)-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide CAS Name: N-(4-bromo-3-methylphenyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2,4-diketo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide Formula: C16H14BrN3O4S MolecularWeight: 424.26906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC(=O)N3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC(=O)N3)Br

InChI

InChI=1S/C16H14BrN3O4S/c1-9-6-10(2-4-12(9)17)20-25(23,24)11-3-5-13-14(7-11)19-16(22)8-15(21)18-13/h2-7,20H,8H2,1H3,(H,18,21)(H,19,22)