(E)-4-[(4-fluorophenyl)amino]-3-(4-methylphenyl)sulfonyl-but-3-en-2-one

Systemtic Name: (E)-4-[(4-fluorophenyl)amino]-3-(4-methylphenyl)sulfonyl-but-3-en-2-one Openeye Name: (E)-4-(4-fluoroanilino)-3-(p-tolylsulfonyl)but-3-en-2-one CAS Name: (E)-4-(4-fluoroanilino)-3-(4-methylphenyl)sulfonyl-3-buten-2-one IUPAC Name: (E)-4-(4-fluoroanilino)-3-(4-methylphenyl)sulfonylbut-3-en-2-one Traditional Name: (E)-4-(4-fluoroanilino)-3-tosyl-but-3-en-2-one Formula: C17H16FNO3S MolecularWeight: 333.377243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC=C(C=C2)F)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/NC2=CC=C(C=C2)F)/C(=O)C

InChI

InChI=1S/C17H16FNO3S/c1-12-3-9-16(10-4-12)23(21,22)17(13(2)20)11-19-15-7-5-14(18)6-8-15/h3-11,19H,1-2H3/b17-11+