[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-[(4-fluorophenyl)-methyl-sulfamoyl]benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-[(4-fluorophenyl)-methyl-sulfamoyl]benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-chloro-5-[(4-fluorophenyl)-methyl-sulfamoyl]benzoate CAS Name: 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate Traditional Name: 2-chloro-5-[(4-fluorophenyl)-methyl-sulfamoyl]benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H28ClFN2O5S MolecularWeight: 535.027323

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H28ClFN2O5S/c1-30(20-4-2-19(28)3-5-20)36(33,34)21-6-7-23(27)22(11-21)25(32)35-15-24(31)29-26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18H,8-10,12-15H2,1H3,(H,29,31)