3-[(4-methylphenyl)sulfonyl-pyridin-2-yl-methyl]-1,2-benzothiazole 1,1-dioxide

Systemtic Name: 3-[(4-methylphenyl)sulfonyl-pyridin-2-yl-methyl]-1,2-benzothiazole 1,1-dioxide Openeye Name: 3-[p-tolylsulfonyl(2-pyridyl)methyl]-1,2-benzothiazole 1,1-dioxide CAS Name: 3-[(4-methylphenyl)sulfonyl-(2-pyridinyl)methyl]-1,2-benzothiazole 1,1-dioxide IUPAC Name: 3-[(4-methylphenyl)sulfonyl-pyridin-2-ylmethyl]-1,2-benzothiazole 1,1-dioxide Traditional Name: 3-[2-pyridyl(tosyl)methyl]-1,2-benzothiazole 1,1-dioxide Formula: C20H16N2O4S2 MolecularWeight: 412.48204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=N2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=N2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H16N2O4S2/c1-14-9-11-15(12-10-14)27(23,24)20(17-7-4-5-13-21-17)19-16-6-2-3-8-18(16)28(25,26)22-19/h2-13,20H,1H3