2-(propoxycarbonylamino)ethyl benzenesulfonate

Systemtic Name: 2-(propoxycarbonylamino)ethyl benzenesulfonate Openeye Name: 2-(propoxycarbonylamino)ethyl benzenesulfonate CAS Name: benzenesulfonic acid 2-[[oxo(propoxy)methyl]amino]ethyl ester IUPAC Name: 2-(propoxycarbonylamino)ethyl benzenesulfonate Traditional Name: benzenesulfonic acid 2-(propoxycarbonylamino)ethyl ester Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)NCCOS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCOC(=O)NCCOS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H17NO5S/c1-2-9-17-12(14)13-8-10-18-19(15,16)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,13,14)