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

Systemtic Name: N'-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-N-phenethyl-ethanediamide Openeye Name: N'-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-N-phenethyl-oxamide CAS Name: N'-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-N-phenethyloxamide IUPAC Name: N'-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-phenethyloxamide Traditional Name: N'-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-N-phenethyl-oxamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)NCCC2=CC=CC=C2)C3=CN=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)NCCC2=CC=CC=C2)C3=CN=CC=C3)C

InChI

InChI=1S/C25H27N3O4S/c1-18-10-11-22(15-19(18)2)33(31,32)23(21-9-6-13-26-16-21)17-28-25(30)24(29)27-14-12-20-7-4-3-5-8-20/h3-11,13,15-16,23H,12,14,17H2,1-2H3,(H,27,29)(H,28,30)