[4-[[1,3-benzodioxol-5-ylcarbonyl-[(2S)-butan-2-yl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[1,3-benzodioxol-5-ylcarbonyl-[(2S)-butan-2-yl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[1,3-benzodioxole-5-carbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[1,3-benzodioxol-5-yl(oxo)methyl]-[(2S)-butan-2-yl]amino]methyl]phenyl] ester IUPAC Name: [4-[[1,3-benzodioxole-5-carbonyl-[(2S)-butan-2-yl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[[(1S)-1-methylpropyl]-piperonyloyl-amino]methyl]phenyl] ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H23NO6S/c1-4-14(2)21(12-15-5-8-17(9-6-15)27-28(3,23)24)20(22)16-7-10-18-19(11-16)26-13-25-18/h5-11,14H,4,12-13H2,1-3H3/t14-/m0/s1