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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O5S/c1-2-3-4-7-17-13(18)9-22-14(19)11-8-10(23(16,20)21)5-6-12(11)15/h5-6,8H,2-4,7,9H2,1H3,(H,17,18)(H2,16,20,21)