N-[1,3-benzodioxol-5-yl-(4-methylphenyl)sulfonyl-methyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[1,3-benzodioxol-5-yl-(4-methylphenyl)sulfonyl-methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[1,3-benzodioxol-5-yl(p-tolylsulfonyl)methyl]-4-methyl-benzenesulfonamide CAS Name: N-[1,3-benzodioxol-5-yl-(4-methylphenyl)sulfonylmethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[1,3-benzodioxol-5-yl-(4-methylphenyl)sulfonylmethyl]-4-methylbenzenesulfonamide Traditional Name: N-[1,3-benzodioxol-5-yl(tosyl)methyl]-4-methyl-benzenesulfonamide Formula: C22H21NO6S2 MolecularWeight: 459.53524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6S2/c1-15-3-8-18(9-4-15)30(24,25)22(17-7-12-20-21(13-17)29-14-28-20)23-31(26,27)19-10-5-16(2)6-11-19/h3-13,22-23H,14H2,1-2H3