[2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoate CAS Name: 5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate Traditional Name: 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C30H37NO5S MolecularWeight: 523.68348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C30H37NO5S/c1-3-4-5-21-7-9-25(10-8-21)31-37(34,35)26-11-6-20(2)27(15-26)29(33)36-19-28(32)30-16-22-12-23(17-30)14-24(13-22)18-30/h6-11,15,22-24,31H,3-5,12-14,16-19H2,1-2H3