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

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzoate CAS Name: 2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylsulfamoyl]benzoic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzoate Traditional Name: 2-chloro-5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-methyl-sulfamoyl]benzoic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C27H31ClN4O6S MolecularWeight: 575.07624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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