4-chloranyl-5-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]pyridazin-3-one CAS Name: 4-chloro-5-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-(4-tosyl-1,4-diazepan-1-yl)pyridazin-3-one Formula: C22H23ClN4O3S MolecularWeight: 458.96102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H23ClN4O3S/c1-17-8-10-19(11-9-17)31(29,30)26-13-5-12-25(14-15-26)20-16-24-27(22(28)21(20)23)18-6-3-2-4-7-18/h2-4,6-11,16H,5,12-15H2,1H3