N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-(3-fluoro-4-methoxy-benzyl)-N-methyl-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C19H23FN2O5S2 MolecularWeight: 442.524723

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)F)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)F)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H23FN2O5S2/c1-21(14-15-5-10-19(27-2)18(20)13-15)28(23,24)16-6-8-17(9-7-16)29(25,26)22-11-3-4-12-22/h5-10,13H,3-4,11-12,14H2,1-2H3