[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-methyl-3-(p-tolylsulfamoyl)benzoate CAS Name: 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-methyl-3-(p-tolylsulfamoyl)benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C27H31NO5S/c1-17-3-7-23(8-4-17)28-34(31,32)24-12-22(6-5-18(24)2)26(30)33-16-25(29)27-13-19-9-20(14-27)11-21(10-19)15-27/h3-8,12,19-21,28H,9-11,13-16H2,1-2H3