N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,5-dimethoxy-benzenesulfonamide

Systemtic Name: N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,5-dimethoxy-benzenesulfonamide Openeye Name: N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,5-dimethoxy-benzenesulfonamide CAS Name: N-[[1-[(4-fluorophenyl)methyl]-2-pyrrolyl]methyl]-2,5-dimethoxybenzenesulfonamide IUPAC Name: N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide Traditional Name: N-[[1-(4-fluorobenzyl)pyrrol-2-yl]methyl]-2,5-dimethoxy-benzenesulfonamide Formula: C20H21FN2O4S MolecularWeight: 404.455143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)NCC2=CC=CN2CC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)NCC2=CC=CN2CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2O4S/c1-26-18-9-10-19(27-2)20(12-18)28(24,25)22-13-17-4-3-11-23(17)14-15-5-7-16(21)8-6-15/h3-12,22H,13-14H2,1-2H3