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

Systemtic Name: 6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-6-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]pyridazin-3-one CAS Name: 6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-6-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]pyridazin-3-one Traditional Name: 2-benzyl-6-(4-tosyl-1,4-diazepane-1-carbonyl)pyridazin-3-one Formula: C24H26N4O4S MolecularWeight: 466.55264

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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)C=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O4S/c1-19-8-10-21(11-9-19)33(31,32)27-15-5-14-26(16-17-27)24(30)22-12-13-23(29)28(25-22)18-20-6-3-2-4-7-20/h2-4,6-13H,5,14-18H2,1H3