N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-fluoranyl-benzenesulfonamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-fluoranyl-benzenesulfonamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-fluoro-benzenesulfonamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-fluorobenzenesulfonamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-fluorobenzenesulfonamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-fluoro-benzenesulfonamide Formula: C18H21FN2O5S2 MolecularWeight: 428.498143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)F)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H21FN2O5S2/c1-2-26-17-9-8-15(13-18(17)28(24,25)21-10-3-4-11-21)20-27(22,23)16-7-5-6-14(19)12-16/h5-9,12-13,20H,2-4,10-11H2,1H3