N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-4-fluoranyl-3-methyl-benzenesulfonamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-4-fluoranyl-3-methyl-benzenesulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-4-fluoro-3-methyl-benzenesulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-4-fluoro-3-methylbenzenesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-4-fluoro-3-methylbenzenesulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-4-fluoro-3-methyl-benzenesulfonamide Formula: C20H18FNO6S3 MolecularWeight: 483.553423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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