N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-4-methyl-benzenesulfonamide Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

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