[4-[(E)-3-[(2-fluoranyl-5-methyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-3-[(2-fluoranyl-5-methyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-3-(2-fluoro-5-methyl-anilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-3-(2-fluoro-5-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(2-fluoro-5-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-(2-fluoro-5-methyl-anilino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H22FNO5S MolecularWeight: 455.498583

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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)NC3=C(C=CC(=C3)C)F)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)NC3=C(C=CC(=C3)C)F)OC

InChI

InChI=1S/C24H22FNO5S/c1-16-4-9-19(10-5-16)32(28,29)31-22-12-7-18(15-23(22)30-3)8-13-24(27)26-21-14-17(2)6-11-20(21)25/h4-15H,1-3H3,(H,26,27)/b13-8+