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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate CAS Name: 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate Traditional Name: 4-chloro-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C30H32ClN3O6S MolecularWeight: 598.10958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C30H32ClN3O6S/c1-18-27(28(36)34(33(18)2)23-6-4-3-5-7-23)32-41(38,39)25-13-22(8-9-24(25)31)29(37)40-17-26(35)30-14-19-10-20(15-30)12-21(11-19)16-30/h3-9,13,19-21,32H,10-12,14-17H2,1-2H3