[4-[(E)-2-acetamido-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-2-acetamido-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-2-acetamido-3-(benzylamino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-2-acetamido-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-acetamido-3-(benzylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-2-acetamido-3-(benzylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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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)NCC3=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)NCC3=CC=CC=C3)/NC(=O)C

InChI

InChI=1S/C25H24N2O5S/c1-18-8-14-23(15-9-18)33(30,31)32-22-12-10-20(11-13-22)16-24(27-19(2)28)25(29)26-17-21-6-4-3-5-7-21/h3-16H,17H2,1-2H3,(H,26,29)(H,27,28)/b24-16+