N'-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-N-(2-methylpropyl)ethanediamide

Systemtic Name: N'-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-N-(2-methylpropyl)ethanediamide Openeye Name: N'-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-N-isobutyl-oxamide CAS Name: N'-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-N-(2-methylpropyl)oxamide IUPAC Name: N'-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide Traditional Name: N'-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-N-isobutyl-oxamide Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-14(2)11-23-20(25)21(26)24-13-19(17-6-5-9-22-12-17)29(27,28)18-8-7-15(3)16(4)10-18/h5-10,12,14,19H,11,13H2,1-4H3,(H,23,25)(H,24,26)