N'-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-N-(3-imidazol-1-ylpropyl)ethanediamide

Systemtic Name: N'-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-N-(3-imidazol-1-ylpropyl)ethanediamide Openeye Name: N'-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-N-(3-imidazol-1-ylpropyl)oxamide CAS Name: N'-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-N-[3-(1-imidazolyl)propyl]oxamide IUPAC Name: N'-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-N-(3-imidazol-1-ylpropyl)oxamide Traditional Name: N'-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-N-(3-imidazol-1-ylpropyl)oxamide Formula: C22H23N5O6S MolecularWeight: 485.51292

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNC(=O)C(=O)NCCCN3C=CN=C3)C4=CN=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNC(=O)C(=O)NCCCN3C=CN=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H23N5O6S/c28-21(25-7-2-9-27-10-8-24-14-27)22(29)26-13-20(16-3-1-6-23-12-16)34(30,31)17-4-5-18-19(11-17)33-15-32-18/h1,3-6,8,10-12,14,20H,2,7,9,13,15H2,(H,25,28)(H,26,29)