4-[1-(1,3-benzodioxol-5-yl)ethylsulfamoyl]butanoic acid

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)ethylsulfamoyl]butanoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)ethylsulfamoyl]butanoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-yl)ethylsulfamoyl]butanoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)ethylsulfamoyl]butanoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)ethylsulfamoyl]butyric acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NS(=O)(=O)CCCC(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NS(=O)(=O)CCCC(=O)O

InChI

InChI=1S/C13H17NO6S/c1-9(14-21(17,18)6-2-3-13(15)16)10-4-5-11-12(7-10)20-8-19-11/h4-5,7,9,14H,2-3,6,8H2,1H3,(H,15,16)