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

Systemtic Name: N-butyl-N'-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]ethanediamide Openeye Name: N-butyl-N'-[2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]oxamide CAS Name: N-butyl-N'-[2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]oxamide IUPAC Name: N-butyl-N'-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide Traditional Name: N-butyl-N'-[2-(3-pyridyl)-2-tosyl-ethyl]oxamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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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

Isomeric SMILES

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

InChI

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