[4-[[1,3-benzodioxol-5-ylcarbonyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[1,3-benzodioxol-5-ylcarbonyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[1,3-benzodioxole-5-carbonyl(benzyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[1,3-benzodioxol-5-yl(oxo)methyl]-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[1,3-benzodioxole-5-carbonyl(benzyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl(piperonyloyl)amino]methyl]phenyl] ester Formula: C23H21NO6S MolecularWeight: 439.48094

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H21NO6S/c1-31(26,27)30-20-10-7-18(8-11-20)15-24(14-17-5-3-2-4-6-17)23(25)19-9-12-21-22(13-19)29-16-28-21/h2-13H,14-16H2,1H3