2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]-5-sulfamoyl-benzoic acid Openeye Name: 2-[[2-(isopropylamino)-2-oxo-ethyl]amino]-5-sulfamoyl-benzoic acid CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-5-sulfamoylbenzoic acid IUPAC Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-5-sulfamoylbenzoic acid Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]amino]-5-sulfamoyl-benzoic acid Formula: C12H17N3O5S MolecularWeight: 315.34548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)O

Isomeric SMILES

CC(C)NC(=O)CNC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C12H17N3O5S/c1-7(2)15-11(16)6-14-10-4-3-8(21(13,19)20)5-9(10)12(17)18/h3-5,7,14H,6H2,1-2H3,(H,15,16)(H,17,18)(H2,13,19,20)