[4-[(E)-2-benzamido-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-2-benzamido-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-3-(allylamino)-2-benzamido-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-2-benzamido-3-oxo-3-(prop-2-enylamino)prop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-benzamido-3-oxo-3-(prop-2-enylamino)prop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-(allylamino)-2-benzamido-3-keto-prop-1-enyl]phenyl] ester Formula: C26H24N2O5S MolecularWeight: 476.54416

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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)NCC=C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O5S/c1-3-17-27-26(30)24(28-25(29)21-7-5-4-6-8-21)18-20-11-13-22(14-12-20)33-34(31,32)23-15-9-19(2)10-16-23/h3-16,18H,1,17H2,2H3,(H,27,30)(H,28,29)/b24-18+