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

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]-2-methyl-benzoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]-2-methyl-benzoate CAS Name: 5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]-2-methylbenzoic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzoate Traditional Name: 5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]-2-methyl-benzoic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C27H32N4O6S MolecularWeight: 540.63118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O6S/c1-18-9-8-14-30(16-18)24(32)17-37-27(34)23-15-22(13-12-19(23)2)38(35,36)28-25-20(3)29(4)31(26(25)33)21-10-6-5-7-11-21/h5-7,10-13,15,18,28H,8-9,14,16-17H2,1-4H3