[3-[[2-methylpropyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [3-[[2-methylpropyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[isobutyl(thiophene-2-carbonyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[isobutyl(2-thenoyl)amino]methyl]phenyl] ester Formula: C19H25NO4S2 MolecularWeight: 395.5361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO4S2/c1-14(2)12-20(19(21)18-9-6-10-25-18)13-16-7-5-8-17(11-16)24-26(22,23)15(3)4/h5-11,14-15H,12-13H2,1-4H3