[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate CAS Name: 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H30N2O6S MolecularWeight: 498.5912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H30N2O6S/c1-33-22-7-5-21(6-8-22)28-35(31,32)23-4-2-3-20(12-23)25(30)34-16-24(29)27-26-13-17-9-18(14-26)11-19(10-17)15-26/h2-8,12,17-19,28H,9-11,13-16H2,1H3,(H,27,29)