[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 4-[(4-bromophenyl)sulfonylamino]benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 4-(brosylamino)benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H27BrN2O5S MolecularWeight: 547.46128

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C25H27BrN2O5S/c26-20-3-7-22(8-4-20)34(31,32)28-21-5-1-19(2-6-21)24(30)33-15-23(29)27-25-12-16-9-17(13-25)11-18(10-16)14-25/h1-8,16-18,28H,9-15H2,(H,27,29)