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

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-N'-propan-2-yl-ethanediamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-N'-isopropyl-oxamide CAS Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-N'-propan-2-yloxamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N'-propan-2-yloxamide Traditional Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-N'-isopropyl-oxamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-13(2)23-20(25)19(24)22-12-18(16-6-5-9-21-11-16)28(26,27)17-8-7-14(3)15(4)10-17/h5-11,13,18H,12H2,1-4H3,(H,22,24)(H,23,25)