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

Systemtic Name: [4-[3-[(5-chloranyl-2-fluoranyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[3-(5-chloro-2-fluoro-anilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[3-(5-chloro-2-fluoroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[3-(5-chloro-2-fluoroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[3-(5-chloro-2-fluoro-anilino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H19ClFNO5S MolecularWeight: 475.917063

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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)Cl)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClFNO5S/c1-15-3-8-18(9-4-15)32(28,29)31-21-11-5-16(13-22(21)30-2)6-12-23(27)26-20-14-17(24)7-10-19(20)25/h3-14H,1-2H3,(H,26,27)