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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-[(4-benzyloxyphenyl)sulfamoyl]benzoate CAS Name: 3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-benzoxyphenyl)sulfamoyl]benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C32H34N2O6S MolecularWeight: 574.68716

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=CC=C4)S(=O)(=O)NC5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=CC=C4)S(=O)(=O)NC5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C32H34N2O6S/c35-30(33-32-17-23-13-24(18-32)15-25(14-23)19-32)21-40-31(36)26-7-4-8-29(16-26)41(37,38)34-27-9-11-28(12-10-27)39-20-22-5-2-1-3-6-22/h1-12,16,23-25,34H,13-15,17-21H2,(H,33,35)