phenyl 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethanesulfonate

Systemtic Name: phenyl 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethanesulfonate Openeye Name: phenyl 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethanesulfonate CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethanesulfonate Traditional Name: 2-[ethyl(piperonyl)amino]ethanesulfonic acid phenyl ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCS(=O)(=O)OC1=CC=CC=C1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CCS(=O)(=O)OC1=CC=CC=C1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H21NO5S/c1-2-19(13-15-8-9-17-18(12-15)23-14-22-17)10-11-25(20,21)24-16-6-4-3-5-7-16/h3-9,12H,2,10-11,13-14H2,1H3