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

Systemtic Name: N-[8-azanyl-3-(4-methoxyphenyl)-5-oxidanylidene-imidazo[4,5-d][1,3]diazepin-7-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[8-amino-3-(4-methoxyphenyl)-5-oxo-imidazo[4,5-d][1,3]diazepin-7-yl]-4-methyl-benzenesulfonamide CAS Name: N-[8-amino-3-(4-methoxyphenyl)-5-oxo-7-imidazo[4,5-d][1,3]diazepinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[8-amino-3-(4-methoxyphenyl)-5-oxoimidazo[4,5-d][1,3]diazepin-7-yl]-4-methylbenzenesulfonamide Traditional Name: N-[8-amino-5-keto-3-(4-methoxyphenyl)imidazo[4,5-d][1,3]diazepin-7-yl]-4-methyl-benzenesulfonamide Formula: C20H18N6O4S MolecularWeight: 438.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=O)N=C3C(=C2N)N=CN3C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=O)N=C3C(=C2N)N=CN3C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H18N6O4S/c1-12-3-9-15(10-4-12)31(28,29)25-18-16(21)17-19(24-20(27)23-18)26(11-22-17)13-5-7-14(30-2)8-6-13/h3-11H,1-2H3,(H3,21,23,24,25,27)