methyl 4-fluoranyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4-fluoranyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-fluoro-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzothiophene-2-carboxylic acid methyl ester Formula: C21H18FNO4S2 MolecularWeight: 431.500323

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC=C2S1)F)S(=O)(=O)N3CCC(=CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC=C2S1)F)S(=O)(=O)N3CCC(=CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H18FNO4S2/c1-27-21(24)19-20(18-16(22)8-5-9-17(18)28-19)29(25,26)23-12-10-15(11-13-23)14-6-3-2-4-7-14/h2-10H,11-13H2,1H3