[4-[(2-fluorophenyl)sulfonyl-methyl-amino]phenyl] 2,3-dihydro-1-benzofuran-5-sulfonate

Systemtic Name: [4-[(2-fluorophenyl)sulfonyl-methyl-amino]phenyl] 2,3-dihydro-1-benzofuran-5-sulfonate Openeye Name: [4-[(2-fluorophenyl)sulfonyl-methyl-amino]phenyl] 2,3-dihydrobenzofuran-5-sulfonate CAS Name: 2,3-dihydrobenzofuran-5-sulfonic acid [4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] 2,3-dihydro-1-benzofuran-5-sulfonate Traditional Name: coumaran-5-sulfonic acid [4-[(2-fluorophenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C21H18FNO6S2 MolecularWeight: 463.499123

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)OCC3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

CN(C1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)OCC3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C21H18FNO6S2/c1-23(30(24,25)21-5-3-2-4-19(21)22)16-6-8-17(9-7-16)29-31(26,27)18-10-11-20-15(14-18)12-13-28-20/h2-11,14H,12-13H2,1H3