[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-(benzylsulfamoyl)-4-chloro-benzoate CAS Name: 4-chloro-3-[(phenylmethyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(benzylsulfamoyl)-4-chloro-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H28ClNO5S MolecularWeight: 502.02222

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C26H28ClNO5S/c27-22-7-6-21(11-23(22)34(31,32)28-15-17-4-2-1-3-5-17)25(30)33-16-24(29)26-12-18-8-19(13-26)10-20(9-18)14-26/h1-7,11,18-20,28H,8-10,12-16H2