N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-3,4-dimethoxy-benzenesulfonamide Formula: C20H21FN2O4S MolecularWeight: 404.455143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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