[4-[(Z)-2-acetamido-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(Z)-2-acetamido-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(Z)-2-acetamido-3-oxo-3-(phenethylamino)prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(Z)-2-acetamido-3-oxo-3-(phenethylamino)prop-1-enyl]phenyl] ester IUPAC Name: [4-[(Z)-2-acetamido-3-oxo-3-(phenethylamino)prop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(Z)-2-acetamido-3-keto-3-(phenethylamino)prop-1-enyl]phenyl] ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C(=O)NCCC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(/C(=O)NCCC3=CC=CC=C3)\NC(=O)C

InChI

InChI=1S/C26H26N2O5S/c1-19-8-14-24(15-9-19)34(31,32)33-23-12-10-22(11-13-23)18-25(28-20(2)29)26(30)27-17-16-21-6-4-3-5-7-21/h3-15,18H,16-17H2,1-2H3,(H,27,30)(H,28,29)/b25-18-