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

Systemtic Name: N-[8-azanyl-3-(4-cyanophenyl)-5-oxidanylidene-imidazo[4,5-d][1,3]diazepin-7-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[8-amino-3-(4-cyanophenyl)-5-oxo-imidazo[4,5-d][1,3]diazepin-7-yl]-4-methyl-benzenesulfonamide CAS Name: N-[8-amino-3-(4-cyanophenyl)-5-oxo-7-imidazo[4,5-d][1,3]diazepinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[8-amino-3-(4-cyanophenyl)-5-oxoimidazo[4,5-d][1,3]diazepin-7-yl]-4-methylbenzenesulfonamide Traditional Name: N-[8-amino-3-(4-cyanophenyl)-5-keto-imidazo[4,5-d][1,3]diazepin-7-yl]-4-methyl-benzenesulfonamide Formula: C20H15N7O3S MolecularWeight: 433.4432

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H15N7O3S/c1-12-2-8-15(9-3-12)31(29,30)26-18-16(22)17-19(25-20(28)24-18)27(11-23-17)14-6-4-13(10-21)5-7-14/h2-9,11H,1H3,(H3,22,24,25,26,28)