phenyl 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]ethanesulfonate

Systemtic Name: phenyl 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]ethanesulfonate Openeye Name: phenyl 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]ethanesulfonate CAS Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]ethanesulfonate Traditional Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]ethanesulfonic acid phenyl ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)OC1=CC=CC=C1)CC2COC3=CC=CC=C3O2

Isomeric SMILES

CN(CCS(=O)(=O)OC1=CC=CC=C1)C[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H21NO5S/c1-19(11-12-25(20,21)24-15-7-3-2-4-8-15)13-16-14-22-17-9-5-6-10-18(17)23-16/h2-10,16H,11-14H2,1H3/t16-/m0/s1