N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-N'-(2-methylquinolin-4-yl)ethanediamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-N'-(2-methylquinolin-4-yl)ethanediamide Openeye Name: N'-(2-methyl-4-quinolyl)-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]oxamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-(2-methyl-4-quinolinyl)oxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-(2-methylquinolin-4-yl)oxamide Traditional Name: N'-(2-methyl-4-quinolyl)-N-[2-(2-thienyl)-2-tosyl-ethyl]oxamide Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)NC2=CC(=NC3=CC=CC=C32)C)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)NC2=CC(=NC3=CC=CC=C32)C)C4=CC=CS4

InChI

InChI=1S/C25H23N3O4S2/c1-16-9-11-18(12-10-16)34(31,32)23(22-8-5-13-33-22)15-26-24(29)25(30)28-21-14-17(2)27-20-7-4-3-6-19(20)21/h3-14,23H,15H2,1-2H3,(H,26,29)(H,27,28,30)