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

Systemtic Name: [3-[[tert-butylcarbamoyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[tert-butylcarbamoyl(isopropyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[tert-butylcarbamoyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[tert-butylcarbamoyl(isopropyl)amino]methyl]phenyl] ester Formula: C18H30N2O4S MolecularWeight: 370.5068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O4S/c1-13(2)20(17(21)19-18(5,6)7)12-15-9-8-10-16(11-15)24-25(22,23)14(3)4/h8-11,13-14H,12H2,1-7H3,(H,19,21)