N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-(2-thienyl)-2-tosyl-ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H21NO6S3 MolecularWeight: 479.58954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CS4

InChI

InChI=1S/C21H21NO6S3/c1-15-4-6-16(7-5-15)30(23,24)21(20-3-2-12-29-20)14-22-31(25,26)17-8-9-18-19(13-17)28-11-10-27-18/h2-9,12-13,21-22H,10-11,14H2,1H3