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

Systemtic Name: [4-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]phenyl] ester Formula: C18H28N2O4S MolecularWeight: 368.49092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(C2CC2)C(=O)NC(C)(C)C

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(C2CC2)C(=O)NC(C)(C)C

InChI

InChI=1S/C18H28N2O4S/c1-13(2)25(22,23)24-16-10-6-14(7-11-16)12-20(15-8-9-15)17(21)19-18(3,4)5/h6-7,10-11,13,15H,8-9,12H2,1-5H3,(H,19,21)