2-(3-methylphenyl)-6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-4,5-dihydropyridazin-3-one

Systemtic Name: 2-(3-methylphenyl)-6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-4,5-dihydropyridazin-3-one Openeye Name: 2-(m-tolyl)-6-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]-4,5-dihydropyridazin-3-one CAS Name: 2-(3-methylphenyl)-6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-4,5-dihydropyridazin-3-one IUPAC Name: 2-(3-methylphenyl)-6-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]-4,5-dihydropyridazin-3-one Traditional Name: 2-(m-tolyl)-6-(4-tosyl-1,4-diazepane-1-carbonyl)-4,5-dihydropyridazin-3-one Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=NN(C(=O)CC3)C4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=NN(C(=O)CC3)C4=CC=CC(=C4)C

InChI

InChI=1S/C24H28N4O4S/c1-18-7-9-21(10-8-18)33(31,32)27-14-4-13-26(15-16-27)24(30)22-11-12-23(29)28(25-22)20-6-3-5-19(2)17-20/h3,5-10,17H,4,11-16H2,1-2H3