4-methyl-3-[[2-oxidanylidene-2-(propylamino)ethyl]sulfamoyl]benzoic acid

Systemtic Name: 4-methyl-3-[[2-oxidanylidene-2-(propylamino)ethyl]sulfamoyl]benzoic acid Openeye Name: 4-methyl-3-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]benzoic acid CAS Name: 4-methyl-3-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]benzoic acid IUPAC Name: 4-methyl-3-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]benzoic acid Traditional Name: 3-[[2-keto-2-(propylamino)ethyl]sulfamoyl]-4-methyl-benzoic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)C

Isomeric SMILES

CCCNC(=O)CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)C

InChI

InChI=1S/C13H18N2O5S/c1-3-6-14-12(16)8-15-21(19,20)11-7-10(13(17)18)5-4-9(11)2/h4-5,7,15H,3,6,8H2,1-2H3,(H,14,16)(H,17,18)