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

Systemtic Name: ethyl 1-[2-chloranyl-3-[(2-ethyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-6-methylsulfonyl-phenyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-chloro-3-(2-ethyl-3-oxo-1H-pyrazole-4-carbonyl)-6-methylsulfonyl-phenyl]piperidine-3-carboxylate CAS Name: 1-[2-chloro-3-[(2-ethyl-3-oxo-1H-pyrazol-4-yl)-oxomethyl]-6-methylsulfonylphenyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-chloro-3-(2-ethyl-3-oxo-1H-pyrazole-4-carbonyl)-6-methylsulfonylphenyl]piperidine-3-carboxylate Traditional Name: 1-[2-chloro-3-(1-ethyl-5-keto-3-pyrazoline-4-carbonyl)-6-mesyl-phenyl]nipecotic acid ethyl ester Formula: C21H26ClN3O6S MolecularWeight: 483.96564

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(C3)C(=O)OCC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O6S/c1-4-25-20(27)15(11-23-25)19(26)14-8-9-16(32(3,29)30)18(17(14)22)24-10-6-7-13(12-24)21(28)31-5-2/h8-9,11,13,23H,4-7,10,12H2,1-3H3