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

Systemtic Name: [3-[[1,3-benzodioxol-5-ylcarbonyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[1,3-benzodioxole-5-carbonyl(isopropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[1,3-benzodioxol-5-yl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[1,3-benzodioxole-5-carbonyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[isopropyl(piperonyloyl)amino]methyl]phenyl] ester Formula: C19H21NO6S MolecularWeight: 391.43814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H21NO6S/c1-13(2)20(11-14-5-4-6-16(9-14)26-27(3,22)23)19(21)15-7-8-17-18(10-15)25-12-24-17/h4-10,13H,11-12H2,1-3H3