(E)-3-[5-fluoranyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-fluoranyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-fluoro-1-(p-tolylsulfonyl)indol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[5-fluoro-1-(4-methylphenyl)sulfonyl-3-indolyl]-2-propenoic acid IUPAC Name: (E)-3-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-(5-fluoro-1-tosyl-indol-3-yl)acrylic acid Formula: C18H14FNO4S MolecularWeight: 359.371463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)F)C=CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)F)/C=C/C(=O)O

InChI

InChI=1S/C18H14FNO4S/c1-12-2-6-15(7-3-12)25(23,24)20-11-13(4-9-18(21)22)16-10-14(19)5-8-17(16)20/h2-11H,1H3,(H,21,22)/b9-4+