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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-3,4-dimethyl-benzenesulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3,4-dimethyl-benzenesulfonamide Formula: C21H21NO6S3 MolecularWeight: 479.58954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6S3/c1-14-5-7-17(10-15(14)2)31(25,26)22-12-20(30(23,24)21-4-3-9-29-21)16-6-8-18-19(11-16)28-13-27-18/h3-11,20,22H,12-13H2,1-2H3