N-(3-imidazol-1-ylpropyl)-N'-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]ethanediamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-N'-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]ethanediamide Openeye Name: N-(3-imidazol-1-ylpropyl)-N'-[2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]oxamide CAS Name: N-[3-(1-imidazolyl)propyl]-N'-[2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]oxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-N'-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-N'-[2-(3-pyridyl)-2-tosyl-ethyl]oxamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)NCCCN2C=CN=C2)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)NCCCN2C=CN=C2)C3=CN=CC=C3

InChI

InChI=1S/C22H25N5O4S/c1-17-5-7-19(8-6-17)32(30,31)20(18-4-2-9-23-14-18)15-26-22(29)21(28)25-10-3-12-27-13-11-24-16-27/h2,4-9,11,13-14,16,20H,3,10,12,15H2,1H3,(H,25,28)(H,26,29)