[1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-[(4-fluorophenyl)sulfamoyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(C=CC(=C4)S(=O)(=O)NC5=CC=C(C=C5)F)Cl

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(C=CC(=C4)S(=O)(=O)NC5=CC=C(C=C5)F)Cl

InChI

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