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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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