4-ethoxy-3-fluoranyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]benzenesulfonamide

Systemtic Name: 4-ethoxy-3-fluoranyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]benzenesulfonamide Openeye Name: 4-ethoxy-3-fluoro-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]benzenesulfonamide CAS Name: 4-ethoxy-3-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide IUPAC Name: 4-ethoxy-3-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide Traditional Name: 4-ethoxy-3-fluoro-N-[2-(2-thienyl)-2-tosyl-ethyl]benzenesulfonamide Formula: C21H22FNO5S3 MolecularWeight: 483.596483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)C)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)C)F

InChI

InChI=1S/C21H22FNO5S3/c1-3-28-19-11-10-17(13-18(19)22)31(26,27)23-14-21(20-5-4-12-29-20)30(24,25)16-8-6-15(2)7-9-16/h4-13,21,23H,3,14H2,1-2H3