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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-2-methoxy-5-methyl-benzenesulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-2-methoxy-5-methyl-benzenesulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxy-5-methylbenzenesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxy-5-methylbenzenesulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-2-methoxy-5-methyl-benzenesulfonamide Formula: C21H21NO7S3 MolecularWeight: 495.58894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO7S3/c1-14-5-7-17(27-2)19(10-14)32(25,26)22-12-20(31(23,24)21-4-3-9-30-21)15-6-8-16-18(11-15)29-13-28-16/h3-11,20,22H,12-13H2,1-2H3