[2-methoxy-5-[[2-methylpropyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [5-[[isobutyl(thiophene-2-carbonyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-methoxy-5-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[isobutyl(2-thenoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H27NO5S2 MolecularWeight: 425.56208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C)C(=O)C2=CC=CS2

Isomeric SMILES

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C)C(=O)C2=CC=CS2

InChI

InChI=1S/C20H27NO5S2/c1-14(2)12-21(20(22)19-7-6-10-27-19)13-16-8-9-17(25-5)18(11-16)26-28(23,24)15(3)4/h6-11,14-15H,12-13H2,1-5H3