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

Systemtic Name: [4-[(E)-2-benzamido-3-(2-hydroxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-2-benzamido-3-(2-hydroxyethylamino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-2-benzamido-3-(2-hydroxyethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-benzamido-3-(2-hydroxyethylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-2-benzamido-3-(2-hydroxyethylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C25H24N2O6S MolecularWeight: 480.53286

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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)NCCO)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)NCCO)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H24N2O6S/c1-18-7-13-22(14-8-18)34(31,32)33-21-11-9-19(10-12-21)17-23(25(30)26-15-16-28)27-24(29)20-5-3-2-4-6-20/h2-14,17,28H,15-16H2,1H3,(H,26,30)(H,27,29)/b23-17+