[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-bromanyl-5-(cyclopropylsulfamoyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-bromanyl-5-(cyclopropylsulfamoyl)benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-bromo-5-(cyclopropylsulfamoyl)benzoate CAS Name: 2-bromo-5-(cyclopropylsulfamoyl)benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-bromo-5-(cyclopropylsulfamoyl)benzoate Traditional Name: 2-bromo-5-(cyclopropylsulfamoyl)benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C17H23BrN2O5S MolecularWeight: 447.34392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)NC2CC2)Br

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)NC2CC2)Br

InChI

InChI=1S/C17H23BrN2O5S/c1-3-11(4-2)19-16(21)10-25-17(22)14-9-13(7-8-15(14)18)26(23,24)20-12-5-6-12/h7-9,11-12,20H,3-6,10H2,1-2H3,(H,19,21)