[4-[[cyclobutylcarbonyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[cyclobutylcarbonyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[cyclobutanecarbonyl(isobutyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[cyclobutanecarbonyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[cyclobutanecarbonyl(isobutyl)amino]methyl]phenyl] ester Formula: C19H29NO4S MolecularWeight: 367.50286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C(C)C)C(=O)C2CCC2

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C(C)C)C(=O)C2CCC2

InChI

InChI=1S/C19H29NO4S/c1-14(2)12-20(19(21)17-6-5-7-17)13-16-8-10-18(11-9-16)24-25(22,23)15(3)4/h8-11,14-15,17H,5-7,12-13H2,1-4H3