N'-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonyl-ethyl]-N-(pyridin-4-ylmethyl)ethanediamide

Systemtic Name: N'-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonyl-ethyl]-N-(pyridin-4-ylmethyl)ethanediamide Openeye Name: N'-[2-(4-dimethylaminophenyl)-2-(2-thienylsulfonyl)ethyl]-N-(4-pyridylmethyl)oxamide CAS Name: N'-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-4-ylmethyl)oxamide IUPAC Name: N'-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-4-ylmethyl)oxamide Traditional Name: N'-[2-(4-dimethylaminophenyl)-2-(2-thienylsulfonyl)ethyl]-N-(4-pyridylmethyl)oxamide Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H24N4O4S2/c1-26(2)18-7-5-17(6-8-18)19(32(29,30)20-4-3-13-31-20)15-25-22(28)21(27)24-14-16-9-11-23-12-10-16/h3-13,19H,14-15H2,1-2H3,(H,24,27)(H,25,28)