[[(E)-3-phenylprop-2-enoxy]carbonylamino] 4-methylbenzenesulfonate

Systemtic Name: [[(E)-3-phenylprop-2-enoxy]carbonylamino] 4-methylbenzenesulfonate Openeye Name: [[(E)-cinnamyl]oxycarbonylamino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [[oxo-[(E)-3-phenylprop-2-enoxy]methyl]amino] ester IUPAC Name: [[(E)-3-phenylprop-2-enoxy]carbonylamino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [[(E)-cinnamyl]oxycarbonylamino] ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ONC(=O)OCC=CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ONC(=O)OC/C=C/C2=CC=CC=C2

InChI

InChI=1S/C17H17NO5S/c1-14-9-11-16(12-10-14)24(20,21)23-18-17(19)22-13-5-8-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,18,19)/b8-5+