[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-bromanyl-5-sulfamoyl-benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-bromanyl-5-sulfamoyl-benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-bromo-5-sulfamoyl-benzoate CAS Name: 2-bromo-5-sulfamoylbenzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-bromo-5-sulfamoylbenzoate Traditional Name: 2-bromo-5-sulfamoyl-benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C14H19BrN2O5S MolecularWeight: 407.28006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)Br

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)Br

InChI

InChI=1S/C14H19BrN2O5S/c1-9(2)5-6-17-13(18)8-22-14(19)11-7-10(23(16,20)21)3-4-12(11)15/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)(H2,16,20,21)