[4-[[1,3-benzodioxol-5-ylcarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[1,3-benzodioxol-5-ylcarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[1,3-benzodioxole-5-carbonyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[1,3-benzodioxol-5-yl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[1,3-benzodioxole-5-carbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isopropyl(piperonyloyl)amino]methyl]phenyl] ester Formula: C20H23NO6S MolecularWeight: 405.46472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO6S/c1-4-28(23,24)27-17-8-5-15(6-9-17)12-21(14(2)3)20(22)16-7-10-18-19(11-16)26-13-25-18/h5-11,14H,4,12-13H2,1-3H3