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

Systemtic Name: N-[3-(dimethylamino)propyl]-N'-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]ethanediamide Openeye Name: N-[3-(dimethylamino)propyl]-N'-[2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]oxamide CAS Name: N-[3-(dimethylamino)propyl]-N'-[2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]oxamide IUPAC Name: N-[3-(dimethylamino)propyl]-N'-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide Traditional Name: N-[3-(dimethylamino)propyl]-N'-[2-(3-pyridyl)-2-tosyl-ethyl]oxamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c1-16-7-9-18(10-8-16)30(28,29)19(17-6-4-11-22-14-17)15-24-21(27)20(26)23-12-5-13-25(2)3/h4,6-11,14,19H,5,12-13,15H2,1-3H3,(H,23,26)(H,24,27)