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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 4-methyl-3-(p-phenetylsulfamoyl)benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C28H33NO6S MolecularWeight: 511.62972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCOC1=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/C28H33NO6S/c1-3-34-24-8-6-23(7-9-24)29-36(32,33)25-13-22(5-4-18(25)2)27(31)35-17-26(30)28-14-19-10-20(15-28)12-21(11-19)16-28/h4-9,13,19-21,29H,3,10-12,14-17H2,1-2H3