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

Systemtic Name: [4-[[tert-butylcarbamoyl(2-dimethylaminoethyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[tert-butylcarbamoyl(2-dimethylaminoethyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[tert-butylcarbamoyl(2-dimethylaminoethyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[tert-butylcarbamoyl(2-dimethylaminoethyl)amino]methyl]phenyl] ester Formula: C19H33N3O4S MolecularWeight: 399.54802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H33N3O4S/c1-15(2)27(24,25)26-17-10-8-16(9-11-17)14-22(13-12-21(6)7)18(23)20-19(3,4)5/h8-11,15H,12-14H2,1-7H3,(H,20,23)