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

Systemtic Name: N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-ethyl-N-(3-fluoro-4-methoxy-benzyl)-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C20H25FN2O5S2 MolecularWeight: 456.551303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN2O5S2/c1-3-22(15-16-6-11-20(28-2)19(21)14-16)29(24,25)17-7-9-18(10-8-17)30(26,27)23-12-4-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3