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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-[(4-bromophenyl)sulfamoyl]-2-chloranyl-benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 5-[(4-bromophenyl)sulfamoyl]-2-chloro-benzoate CAS Name: 5-[(4-bromophenyl)sulfamoyl]-2-chlorobenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 5-[(4-bromophenyl)sulfamoyl]-2-chlorobenzoate Traditional Name: 5-[(4-bromophenyl)sulfamoyl]-2-chloro-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H26BrClN2O5S MolecularWeight: 581.90634

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=C(C=CC(=C4)S(=O)(=O)NC5=CC=C(C=C5)Br)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=C(C=CC(=C4)S(=O)(=O)NC5=CC=C(C=C5)Br)Cl

InChI

InChI=1S/C25H26BrClN2O5S/c26-18-1-3-19(4-2-18)29-35(32,33)20-5-6-22(27)21(10-20)24(31)34-14-23(30)28-25-11-15-7-16(12-25)9-17(8-15)13-25/h1-6,10,15-17,29H,7-9,11-14H2,(H,28,30)