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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-N'-[2-(phenylsulfonyl)-2-pyridin-3-yl-ethyl]ethanediamide Openeye Name: N'-[2-(benzenesulfonyl)-2-(3-pyridyl)ethyl]-N-(3-imidazol-1-ylpropyl)oxamide CAS Name: N'-[2-(benzenesulfonyl)-2-(3-pyridinyl)ethyl]-N-[3-(1-imidazolyl)propyl]oxamide IUPAC Name: N'-[2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N-(3-imidazol-1-ylpropyl)oxamide Traditional Name: N'-[2-besyl-2-(3-pyridyl)ethyl]-N-(3-imidazol-1-ylpropyl)oxamide Formula: C21H23N5O4S MolecularWeight: 441.50342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4S/c27-20(24-10-5-12-26-13-11-23-16-26)21(28)25-15-19(17-6-4-9-22-14-17)31(29,30)18-7-2-1-3-8-18/h1-4,6-9,11,13-14,16,19H,5,10,12,15H2,(H,24,27)(H,25,28)