4-chloranyl-2-(phenylmethyl)-5-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-(phenylmethyl)-5-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one Openeye Name: 2-benzyl-4-chloro-5-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one CAS Name: 4-chloro-2-(phenylmethyl)-5-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]-3-pyridazinone IUPAC Name: 2-benzyl-4-chloro-5-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one Traditional Name: 2-benzyl-4-chloro-5-(4-mesitylsulfonylpiperazino)pyridazin-3-one Formula: C24H27ClN4O3S MolecularWeight: 487.01418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN4O3S/c1-17-13-18(2)23(19(3)14-17)33(31,32)28-11-9-27(10-12-28)21-15-26-29(24(30)22(21)25)16-20-7-5-4-6-8-20/h4-8,13-15H,9-12,16H2,1-3H3