4-chloranyl-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-4-chloro-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one CAS Name: 4-chloro-5-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4-chloro-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one Traditional Name: 2-benzyl-4-chloro-5-[4-(3,4-dimethylphenyl)sulfonylpiperazino]pyridazin-3-one Formula: C23H25ClN4O3S MolecularWeight: 472.9876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)CC4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)CC4=CC=CC=C4)Cl)C

InChI

InChI=1S/C23H25ClN4O3S/c1-17-8-9-20(14-18(17)2)32(30,31)27-12-10-26(11-13-27)21-15-25-28(23(29)22(21)24)16-19-6-4-3-5-7-19/h3-9,14-15H,10-13,16H2,1-2H3