[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-chloranyl-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-chloranyl-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 3-chloro-5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate CAS Name: 3-chloro-5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]benzoic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate Traditional Name: 3-chloro-5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzoic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C26H29ClN4O6S MolecularWeight: 561.04966

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC(=CC(=C2)Cl)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=CC(=CC(=C2)Cl)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C26H29ClN4O6S/c1-17-8-7-11-30(15-17)23(32)16-37-26(34)19-12-20(27)14-22(13-19)38(35,36)28-24-18(2)29(3)31(25(24)33)21-9-5-4-6-10-21/h4-6,9-10,12-14,17,28H,7-8,11,15-16H2,1-3H3