[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C21H22FNO6S3 MolecularWeight: 499.595883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H22FNO6S3/c1-27-18-12-15(21-30-10-11-31-21)3-5-17(18)29-20(24)14-2-4-16(22)19(13-14)32(25,26)23-6-8-28-9-7-23/h2-5,12-13,21H,6-11H2,1H3