[4-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C18H30N2O5S MolecularWeight: 386.5062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CCOC)C(=O)NC(C)(C)C

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CCOC)C(=O)NC(C)(C)C

InChI

InChI=1S/C18H30N2O5S/c1-14(2)26(22,23)25-16-9-7-15(8-10-16)13-20(11-12-24-6)17(21)19-18(3,4)5/h7-10,14H,11-13H2,1-6H3,(H,19,21)