1-[2-chloranyl-3-[(2-ethyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-6-methylsulfonyl-phenyl]piperidin-3-one

Systemtic Name: 1-[2-chloranyl-3-[(2-ethyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-6-methylsulfonyl-phenyl]piperidin-3-one Openeye Name: 1-[2-chloro-3-(2-ethyl-3-oxo-1H-pyrazole-4-carbonyl)-6-methylsulfonyl-phenyl]piperidin-3-one CAS Name: 1-[2-chloro-3-[(2-ethyl-3-oxo-1H-pyrazol-4-yl)-oxomethyl]-6-methylsulfonylphenyl]-3-piperidinone IUPAC Name: 1-[2-chloro-3-(2-ethyl-3-oxo-1H-pyrazole-4-carbonyl)-6-methylsulfonylphenyl]piperidin-3-one Traditional Name: 1-[2-chloro-3-(1-ethyl-5-keto-3-pyrazoline-4-carbonyl)-6-mesyl-phenyl]-3-piperidone Formula: C18H20ClN3O5S MolecularWeight: 425.8865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3CCCC(=O)C3)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3CCCC(=O)C3)Cl

InChI

InChI=1S/C18H20ClN3O5S/c1-3-22-18(25)13(9-20-22)17(24)12-6-7-14(28(2,26)27)16(15(12)19)21-8-4-5-11(23)10-21/h6-7,9,20H,3-5,8,10H2,1-2H3