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

Systemtic Name: [4-[[cyclobutylcarbonyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[cyclobutanecarbonyl(isopropyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[cyclobutanecarbonyl(isopropyl)amino]methyl]phenyl] ester Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4S/c1-13(2)19(18(20)16-6-5-7-16)12-15-8-10-17(11-9-15)23-24(21,22)14(3)4/h8-11,13-14,16H,5-7,12H2,1-4H3