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

Systemtic Name: [2-methoxy-4-[(E)-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-3-(benzylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(E)-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-(benzylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H23NO5S MolecularWeight: 437.50812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)NCC3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C24H23NO5S/c1-18-8-12-21(13-9-18)31(27,28)30-22-14-10-19(16-23(22)29-2)11-15-24(26)25-17-20-6-4-3-5-7-20/h3-16H,17H2,1-2H3,(H,25,26)/b15-11+