[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 3-[(4-bromophenyl)sulfonylamino]benzoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 3-(brosylamino)benzoic acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)COC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)N(C(C)C)C(=O)COC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H25BrN2O5S/c1-14(2)24(15(3)4)20(25)13-29-21(26)16-6-5-7-18(12-16)23-30(27,28)19-10-8-17(22)9-11-19/h5-12,14-15,23H,13H2,1-4H3