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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)O

Isomeric SMILES

CCCNC(=O)CNC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)O

InChI

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