[5-(4-fluorophenyl)sulfanyl-6-(methylsulfonylamino)-2,3-dihydro-1-benzofuran-3-yl] methanesulfonate

Systemtic Name: [5-(4-fluorophenyl)sulfanyl-6-(methylsulfonylamino)-2,3-dihydro-1-benzofuran-3-yl] methanesulfonate Openeye Name: [5-(4-fluorophenyl)sulfanyl-6-(methanesulfonamido)-2,3-dihydrobenzofuran-3-yl] methanesulfonate CAS Name: methanesulfonic acid [5-[(4-fluorophenyl)thio]-6-(methanesulfonamido)-2,3-dihydrobenzofuran-3-yl] ester IUPAC Name: [5-(4-fluorophenyl)sulfanyl-6-(methanesulfonamido)-2,3-dihydro-1-benzofuran-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [5-[(4-fluorophenyl)thio]-6-(methanesulfonamido)coumaran-3-yl] ester Formula: C16H16FNO6S3 MolecularWeight: 433.494743

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=C2C(COC2=C1)OS(=O)(=O)C)SC3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)NC1=C(C=C2C(COC2=C1)OS(=O)(=O)C)SC3=CC=C(C=C3)F

InChI

InChI=1S/C16H16FNO6S3/c1-26(19,20)18-13-8-14-12(15(9-23-14)24-27(2,21)22)7-16(13)25-11-5-3-10(17)4-6-11/h3-8,15,18H,9H2,1-2H3