4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)-1H-pyrazol-3-one

Systemtic Name: 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)-1H-pyrazol-3-one Openeye Name: 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-[5-(1-piperidylsulfonyl)-2-pyridyl]-1H-pyrazol-3-one CAS Name: 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-[5-(1-piperidinylsulfonyl)-2-pyridinyl]-1H-pyrazol-3-one IUPAC Name: 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)-1H-pyrazol-3-one Traditional Name: 4-(2,4-dichlorobenzyl)-5-methyl-2-(5-piperidinosulfonyl-2-pyridyl)-3-pyrazolin-3-one Formula: C21H22Cl2N4O3S MolecularWeight: 481.39538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H22Cl2N4O3S/c1-14-18(11-15-5-6-16(22)12-19(15)23)21(28)27(25-14)20-8-7-17(13-24-20)31(29,30)26-9-3-2-4-10-26/h5-8,12-13,25H,2-4,9-11H2,1H3