[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-[(5-bromo-2-thienyl)sulfonylamino]benzoate CAS Name: 4-[(5-bromo-2-thiophenyl)sulfonylamino]benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 4-[(5-bromo-2-thienyl)sulfonylamino]benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H25BrN2O5S2 MolecularWeight: 553.489

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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(S5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(S5)Br

InChI

InChI=1S/C23H25BrN2O5S2/c24-19-5-6-21(32-19)33(29,30)26-18-3-1-17(2-4-18)22(28)31-13-20(27)25-23-10-14-7-15(11-23)9-16(8-14)12-23/h1-6,14-16,26H,7-13H2,(H,25,27)