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

Systemtic Name: [2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-chloranyl-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate Openeye Name: [2-(2-ethyl-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-(2-ethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-ethylpiperidin-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-(2-ethylpiperidino)-2-keto-ethyl] ester Formula: C27H31ClN4O6S MolecularWeight: 575.07624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=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

CCC1CCCCN1C(=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/C27H31ClN4O6S/c1-4-21-10-8-9-13-31(21)24(33)17-38-27(35)19-14-20(28)16-23(15-19)39(36,37)29-25-18(2)30(3)32(26(25)34)22-11-6-5-7-12-22/h5-7,11-12,14-16,21,29H,4,8-10,13,17H2,1-3H3