N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-2-fluoranyl-5-methyl-benzenesulfonamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-2-fluoranyl-5-methyl-benzenesulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-2-fluoro-5-methyl-benzenesulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-2-fluoro-5-methylbenzenesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-2-fluoro-5-methylbenzenesulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-2-fluoro-5-methyl-benzenesulfonamide Formula: C20H18FNO6S3 MolecularWeight: 483.553423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)S(=O)(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)F)S(=O)(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H18FNO6S3/c1-13-4-6-15(21)18(9-13)31(25,26)22-11-19(30(23,24)20-3-2-8-29-20)14-5-7-16-17(10-14)28-12-27-16/h2-10,19,22H,11-12H2,1H3