4-[[1-oxidanylidene-1-(propylamino)propan-2-yl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[1-oxidanylidene-1-(propylamino)propan-2-yl]sulfamoyl]benzoic acid Openeye Name: 4-[[1-methyl-2-oxo-2-(propylamino)ethyl]sulfamoyl]benzoic acid CAS Name: 4-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoic acid IUPAC Name: 4-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoic acid Traditional Name: 4-[[2-keto-1-methyl-2-(propylamino)ethyl]sulfamoyl]benzoic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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