(E)-3-(4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)but-2-enoate

Systemtic Name: (E)-3-(4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)but-2-enoate Openeye Name: (E)-3-(4-fluoro-3-pyrrolidin-1-ylsulfonyl-phenyl)but-2-enoate CAS Name: (E)-3-[4-fluoro-3-(1-pyrrolidinylsulfonyl)phenyl]-2-butenoate IUPAC Name: (E)-3-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)but-2-enoate Traditional Name: (E)-3-(4-fluoro-3-pyrrolidinosulfonyl-phenyl)but-2-enoate Formula: C14H15FNO4S- MolecularWeight: 312.336603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)[O-])C1=CC(=C(C=C1)F)S(=O)(=O)N2CCCC2

Isomeric SMILES

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

InChI

InChI=1S/C14H16FNO4S/c1-10(8-14(17)18)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)/p-1/b10-8+