[2-methoxy-5-[[2-methylpropanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [2-methoxy-5-[[2-methylpropanoyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-methoxy-5-[[2-methylpropanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[isobutyryl(tetrahydrofurfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H31NO6S MolecularWeight: 413.52824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CC1CCCO1)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)N(CC1CCCO1)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C(C)C

InChI

InChI=1S/C20H31NO6S/c1-14(2)20(22)21(13-17-7-6-10-26-17)12-16-8-9-18(25-5)19(11-16)27-28(23,24)15(3)4/h8-9,11,14-15,17H,6-7,10,12-13H2,1-5H3