2-[(4-chlorophenyl)methyl]-6-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)pyridazin-3-one

Systemtic Name: 2-[(4-chlorophenyl)methyl]-6-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)pyridazin-3-one Openeye Name: 2-[(4-chlorophenyl)methyl]-6-[4-methyl-3-(1-piperidylsulfonyl)phenyl]pyridazin-3-one CAS Name: 2-[(4-chlorophenyl)methyl]-6-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-3-pyridazinone IUPAC Name: 2-[(4-chlorophenyl)methyl]-6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(4-chlorobenzyl)-6-(4-methyl-3-piperidinosulfonyl-phenyl)pyridazin-3-one Formula: C23H24ClN3O3S MolecularWeight: 457.97296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H24ClN3O3S/c1-17-5-8-19(15-22(17)31(29,30)26-13-3-2-4-14-26)21-11-12-23(28)27(25-21)16-18-6-9-20(24)10-7-18/h5-12,15H,2-4,13-14,16H2,1H3