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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=O)NCC(C1=CN=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCCNC(=O)C(=O)NCC(C1=CN=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H27N3O4S/c1-4-5-11-23-20(25)21(26)24-14-19(17-7-6-10-22-13-17)29(27,28)18-9-8-15(2)16(3)12-18/h6-10,12-13,19H,4-5,11,14H2,1-3H3,(H,23,25)(H,24,26)