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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-[(4-ethoxyphenyl)-methyl-sulfamoyl]-2-methyl-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 5-[(4-ethoxyphenyl)-methyl-sulfamoyl]-2-methyl-benzoate CAS Name: 5-[(4-ethoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 5-[(4-ethoxyphenyl)-methylsulfamoyl]-2-methylbenzoate Traditional Name: 2-methyl-5-[methyl(p-phenetyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C29H35NO6S MolecularWeight: 525.6563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35NO6S/c1-4-35-24-8-6-23(7-9-24)30(3)37(33,34)25-10-5-19(2)26(14-25)28(32)36-18-27(31)29-15-20-11-21(16-29)13-22(12-20)17-29/h5-10,14,20-22H,4,11-13,15-18H2,1-3H3