2-(4-fluorophenyl)sulfonyl-2-(pyridin-3-ylmethyl)hex-4-ynoic acid

Systemtic Name: 2-(4-fluorophenyl)sulfonyl-2-(pyridin-3-ylmethyl)hex-4-ynoic acid Openeye Name: 2-(4-fluorophenyl)sulfonyl-2-(3-pyridylmethyl)hex-4-ynoic acid CAS Name: 2-(4-fluorophenyl)sulfonyl-2-(3-pyridinylmethyl)-4-hexynoic acid IUPAC Name: 2-(4-fluorophenyl)sulfonyl-2-(pyridin-3-ylmethyl)hex-4-ynoic acid Traditional Name: 2-(4-fluorophenyl)sulfonyl-2-(3-pyridylmethyl)hex-4-ynoic acid Formula: C18H16FNO4S MolecularWeight: 361.387343

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(CC1=CN=CC=C1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC#CCC(CC1=CN=CC=C1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H16FNO4S/c1-2-3-10-18(17(21)22,12-14-5-4-11-20-13-14)25(23,24)16-8-6-15(19)7-9-16/h4-9,11,13H,10,12H2,1H3,(H,21,22)