7-bromanyl-4-(4-methylphenyl)sulfonyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-bromanyl-4-(4-methylphenyl)sulfonyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-5-phenyl-4-(p-tolylsulfonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-bromo-4-(4-methylphenyl)sulfonyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-4-(4-methylphenyl)sulfonyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-5-phenyl-4-tosyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C22H19BrN2O3S MolecularWeight: 471.36686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Br

InChI

InChI=1S/C22H19BrN2O3S/c1-15-7-10-18(11-8-15)29(27,28)25-14-21(26)24-20-12-9-17(23)13-19(20)22(25)16-5-3-2-4-6-16/h2-13,22H,14H2,1H3,(H,24,26)