2-tert-butyl-4-[2-chloranyl-3-(3-methylpiperidin-1-yl)-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one

Systemtic Name: 2-tert-butyl-4-[2-chloranyl-3-(3-methylpiperidin-1-yl)-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-4-[2-chloro-3-(3-methyl-1-piperidyl)-4-methylsulfonyl-benzoyl]-1H-pyrazol-3-one CAS Name: 2-tert-butyl-4-[[2-chloro-3-(3-methyl-1-piperidinyl)-4-methylsulfonylphenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-4-[2-chloro-3-(3-methylpiperidin-1-yl)-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-4-[2-chloro-4-mesyl-3-(3-methylpiperidino)benzoyl]-3-pyrazolin-3-one Formula: C21H28ClN3O4S MolecularWeight: 453.98272

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=CC(=C2Cl)C(=O)C3=CNN(C3=O)C(C)(C)C)S(=O)(=O)C

Isomeric SMILES

CC1CCCN(C1)C2=C(C=CC(=C2Cl)C(=O)C3=CNN(C3=O)C(C)(C)C)S(=O)(=O)C

InChI

InChI=1S/C21H28ClN3O4S/c1-13-7-6-10-24(12-13)18-16(30(5,28)29)9-8-14(17(18)22)19(26)15-11-23-25(20(15)27)21(2,3)4/h8-9,11,13,23H,6-7,10,12H2,1-5H3