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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-(3-pyridyl)-2-tosyl-ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H22N2O6S2 MolecularWeight: 474.54988

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6S2/c1-16-4-6-18(7-5-16)31(25,26)22(17-3-2-10-23-14-17)15-24-32(27,28)19-8-9-20-21(13-19)30-12-11-29-20/h2-10,13-14,22,24H,11-12,15H2,1H3