3-bromanyl-4-[2-cyanoethyl(propan-2-yl)sulfamoyl]benzoic acid

Systemtic Name: 3-bromanyl-4-[2-cyanoethyl(propan-2-yl)sulfamoyl]benzoic acid Openeye Name: 3-bromo-4-[2-cyanoethyl(isopropyl)sulfamoyl]benzoic acid CAS Name: 3-bromo-4-[2-cyanoethyl(propan-2-yl)sulfamoyl]benzoic acid IUPAC Name: 3-bromo-4-[2-cyanoethyl(propan-2-yl)sulfamoyl]benzoic acid Traditional Name: 3-bromo-4-[2-cyanoethyl(isopropyl)sulfamoyl]benzoic acid Formula: C13H15BrN2O4S MolecularWeight: 375.2382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC#N)S(=O)(=O)C1=C(C=C(C=C1)C(=O)O)Br

Isomeric SMILES

CC(C)N(CCC#N)S(=O)(=O)C1=C(C=C(C=C1)C(=O)O)Br

InChI

InChI=1S/C13H15BrN2O4S/c1-9(2)16(7-3-6-15)21(19,20)12-5-4-10(13(17)18)8-11(12)14/h4-5,8-9H,3,7H2,1-2H3,(H,17,18)