[3-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [3-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[tert-butylcarbamoyl(isobutyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[tert-butylcarbamoyl(isobutyl)amino]methyl]phenyl] ester Formula: C19H32N2O4S MolecularWeight: 384.53338

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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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O4S/c1-14(2)12-21(18(22)20-19(5,6)7)13-16-9-8-10-17(11-16)25-26(23,24)15(3)4/h8-11,14-15H,12-13H2,1-7H3,(H,20,22)