2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]ethanesulfonamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]ethanesulfonamide Openeye Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]ethanesulfonamide CAS Name: 2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]ethanesulfonamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]ethanesulfonamide Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]ethanesulfonamide Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)NCCS(=O)(=O)N

Isomeric SMILES

CC(CCC1=CC2=C(C=C1)OCO2)NCCS(=O)(=O)N

InChI

InChI=1S/C13H20N2O4S/c1-10(15-6-7-20(14,16)17)2-3-11-4-5-12-13(8-11)19-9-18-12/h4-5,8,10,15H,2-3,6-7,9H2,1H3,(H2,14,16,17)