3-methyl-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]benzamide

Systemtic Name: 3-methyl-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]benzamide Openeye Name: 3-methyl-N-[2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]benzamide CAS Name: 3-methyl-N-[2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]benzamide IUPAC Name: 3-methyl-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide Traditional Name: 3-methyl-N-[2-(3-pyridyl)-2-tosyl-ethyl]benzamide Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC(=CC=C2)C)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC(=CC=C2)C)C3=CN=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-16-8-10-20(11-9-16)28(26,27)21(19-7-4-12-23-14-19)15-24-22(25)18-6-3-5-17(2)13-18/h3-14,21H,15H2,1-2H3,(H,24,25)