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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(2-bromophenyl)sulfonylamino]ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[(2-bromophenyl)sulfonylamino]acetate CAS Name: 2-[(2-bromophenyl)sulfonylamino]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[(2-bromophenyl)sulfonylamino]acetate Traditional Name: 2-[(2-bromophenyl)sulfonylamino]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C20H25BrN2O5S MolecularWeight: 485.3919

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CNS(=O)(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CNS(=O)(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C20H25BrN2O5S/c21-16-3-1-2-4-17(16)29(26,27)22-11-19(25)28-12-18(24)23-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15,22H,5-12H2,(H,23,24)