N-[8-azanyl-3-(4-methylphenyl)-5-oxidanylidene-imidazo[4,5-d][1,3]diazepin-7-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[8-azanyl-3-(4-methylphenyl)-5-oxidanylidene-imidazo[4,5-d][1,3]diazepin-7-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[8-amino-5-oxo-3-(p-tolyl)imidazo[4,5-d][1,3]diazepin-7-yl]-4-methyl-benzenesulfonamide CAS Name: N-[8-amino-3-(4-methylphenyl)-5-oxo-7-imidazo[4,5-d][1,3]diazepinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[8-amino-3-(4-methylphenyl)-5-oxoimidazo[4,5-d][1,3]diazepin-7-yl]-4-methylbenzenesulfonamide Traditional Name: N-[8-amino-5-keto-3-(p-tolyl)imidazo[4,5-d][1,3]diazepin-7-yl]-4-methyl-benzenesulfonamide Formula: C20H18N6O3S MolecularWeight: 422.46032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NC3=C(C(=NC(=O)N=C32)NS(=O)(=O)C4=CC=C(C=C4)C)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NC3=C(C(=NC(=O)N=C32)NS(=O)(=O)C4=CC=C(C=C4)C)N

InChI

InChI=1S/C20H18N6O3S/c1-12-3-7-14(8-4-12)26-11-22-17-16(21)18(23-20(27)24-19(17)26)25-30(28,29)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H3,21,23,24,25,27)