N'-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonyl-ethyl]-N-(3-imidazol-1-ylpropyl)ethanediamide

Systemtic Name: N'-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonyl-ethyl]-N-(3-imidazol-1-ylpropyl)ethanediamide Openeye Name: N'-[2-(4-dimethylaminophenyl)-2-(2-thienylsulfonyl)ethyl]-N-(3-imidazol-1-ylpropyl)oxamide CAS Name: N'-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonylethyl]-N-[3-(1-imidazolyl)propyl]oxamide IUPAC Name: N'-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonylethyl]-N-(3-imidazol-1-ylpropyl)oxamide Traditional Name: N'-[2-(4-dimethylaminophenyl)-2-(2-thienylsulfonyl)ethyl]-N-(3-imidazol-1-ylpropyl)oxamide Formula: C22H27N5O4S2 MolecularWeight: 489.61088

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C(=O)NCCCN2C=CN=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C(=O)NCCCN2C=CN=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H27N5O4S2/c1-26(2)18-8-6-17(7-9-18)19(33(30,31)20-5-3-14-32-20)15-25-22(29)21(28)24-10-4-12-27-13-11-23-16-27/h3,5-9,11,13-14,16,19H,4,10,12,15H2,1-2H3,(H,24,28)(H,25,29)