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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)pyridazin-3-one Openeye Name: 2-[(4-chlorophenyl)methyl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)pyridazin-3-one CAS Name: 2-[(4-chlorophenyl)methyl]-6-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-3-pyridazinone IUPAC Name: 2-[(4-chlorophenyl)methyl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(4-chlorobenzyl)-6-(4-methyl-3-pyrrolidinosulfonyl-phenyl)pyridazin-3-one Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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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)N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC=C(C=C3)Cl)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H22ClN3O3S/c1-16-4-7-18(14-21(16)30(28,29)25-12-2-3-13-25)20-10-11-22(27)26(24-20)15-17-5-8-19(23)9-6-17/h4-11,14H,2-3,12-13,15H2,1H3