N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[2-(3-pyridyl)-2-tosyl-ethyl]-1,3-benzodioxole-5-sulfonamide Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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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)OCO3)C4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6S2/c1-15-4-6-17(7-5-15)30(24,25)21(16-3-2-10-22-12-16)13-23-31(26,27)18-8-9-19-20(11-18)29-14-28-19/h2-12,21,23H,13-14H2,1H3