[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 3-[(4-bromophenyl)sulfonylamino]benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 3-(brosylamino)benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H23BrN2O5S/c1-3-16(4-2)22-19(24)13-28-20(25)14-6-5-7-17(12-14)23-29(26,27)18-10-8-15(21)9-11-18/h5-12,16,23H,3-4,13H2,1-2H3,(H,22,24)