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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 3-[(4-bromophenyl)sulfonylamino]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 3-(brosylamino)benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O5S/c1-14(2)10-11-22-19(24)13-28-20(25)15-4-3-5-17(12-15)23-29(26,27)18-8-6-16(21)7-9-18/h3-9,12,14,23H,10-11,13H2,1-2H3,(H,22,24)