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

Systemtic Name: [5-[[1,3-benzodioxol-5-ylcarbonyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[1,3-benzodioxole-5-carbonyl(isopropyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[1,3-benzodioxol-5-yl(oxo)methyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[1,3-benzodioxole-5-carbonyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isopropyl(piperonyloyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H23NO7S MolecularWeight: 421.46412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO7S/c1-13(2)21(20(22)15-6-8-17-18(10-15)27-12-26-17)11-14-5-7-16(25-3)19(9-14)28-29(4,23)24/h5-10,13H,11-12H2,1-4H3