methyl 5-bromanyl-4-[3-(propan-2-ylamino)propylsulfamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-bromanyl-4-[3-(propan-2-ylamino)propylsulfamoyl]thiophene-2-carboxylate Openeye Name: methyl 5-bromo-4-[3-(isopropylamino)propylsulfamoyl]thiophene-2-carboxylate CAS Name: 5-bromo-4-[3-(propan-2-ylamino)propylsulfamoyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-4-[3-(propan-2-ylamino)propylsulfamoyl]thiophene-2-carboxylate Traditional Name: 5-bromo-4-[3-(isopropylamino)propylsulfamoyl]thiophene-2-carboxylic acid methyl ester Formula: C12H19BrN2O4S2 MolecularWeight: 399.32426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCCNS(=O)(=O)C1=C(SC(=C1)C(=O)OC)Br

Isomeric SMILES

CC(C)NCCCNS(=O)(=O)C1=C(SC(=C1)C(=O)OC)Br

InChI

InChI=1S/C12H19BrN2O4S2/c1-8(2)14-5-4-6-15-21(17,18)10-7-9(12(16)19-3)20-11(10)13/h7-8,14-15H,4-6H2,1-3H3