1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazine

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazine Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylsulfonyl)-4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazine CAS Name: 1-(2,3-dihydrobenzofuran-5-ylsulfonyl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine Traditional Name: 1-coumaran-5-ylsulfonyl-4-(3-fluoro-4-methoxy-benzyl)piperazine Formula: C20H23FN2O4S MolecularWeight: 406.471023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCC4)F

InChI

InChI=1S/C20H23FN2O4S/c1-26-20-4-2-15(12-18(20)21)14-22-7-9-23(10-8-22)28(24,25)17-3-5-19-16(13-17)6-11-27-19/h2-5,12-13H,6-11,14H2,1H3