[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] propane-1-sulfonate

Systemtic Name: [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] propane-1-sulfonate Openeye Name: [4-(tert-butoxycarbonylamino)phenyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [4-(tert-butoxycarbonylamino)phenyl] ester Formula: C14H21NO5S MolecularWeight: 315.38524

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=CC=C(C=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCS(=O)(=O)OC1=CC=C(C=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C14H21NO5S/c1-5-10-21(17,18)20-12-8-6-11(7-9-12)15-13(16)19-14(2,3)4/h6-9H,5,10H2,1-4H3,(H,15,16)