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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]-2-methyl-benzoate Openeye Name: [2-(1-adamantyl)-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-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-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-(1-adamantyl)-2-keto-ethyl] ester Formula: C31H35N3O6S MolecularWeight: 577.6911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H35N3O6S/c1-19-9-10-25(41(38,39)32-28-20(2)33(3)34(29(28)36)24-7-5-4-6-8-24)14-26(19)30(37)40-18-27(35)31-15-21-11-22(16-31)13-23(12-21)17-31/h4-10,14,21-23,32H,11-13,15-18H2,1-3H3