(E)-3-(4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-(4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-(4-fluoro-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[4-fluoro-3-(1-pyrrolidinylsulfonyl)phenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylprop-2-enoic acid Traditional Name: (E)-3-(4-fluoro-3-pyrrolidinosulfonyl-phenyl)-2-methyl-acrylic acid Formula: C14H16FNO4S MolecularWeight: 313.344543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C=C1)F)S(=O)(=O)N2CCCC2)C(=O)O

Isomeric SMILES

C/C(=C\C1=CC(=C(C=C1)F)S(=O)(=O)N2CCCC2)/C(=O)O

InChI

InChI=1S/C14H16FNO4S/c1-10(14(17)18)8-11-4-5-12(15)13(9-11)21(19,20)16-6-2-3-7-16/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18)/b10-8+