[[(E)-4-phenylbut-3-enoxy]carbonylamino] 4-methylbenzenesulfonate

Systemtic Name: [[(E)-4-phenylbut-3-enoxy]carbonylamino] 4-methylbenzenesulfonate Openeye Name: [[(E)-4-phenylbut-3-enoxy]carbonylamino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [[oxo-[(E)-4-phenylbut-3-enoxy]methyl]amino] ester IUPAC Name: [[(E)-4-phenylbut-3-enoxy]carbonylamino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [[(E)-4-phenylbut-3-enoxy]carbonylamino] ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5S/c1-15-10-12-17(13-11-15)25(21,22)24-19-18(20)23-14-6-5-9-16-7-3-2-4-8-16/h2-5,7-13H,6,14H2,1H3,(H,19,20)/b9-5+