N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-2-(1-propylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-2-(1-propylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)-2-(1-propylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-2-[(1-propyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)-2-[(1-propylimidazol-2-yl)thio]acetamide Formula: C22H31N5O4S2 MolecularWeight: 493.64264

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

Isomeric SMILES

CCCN1C=CN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

InChI

InChI=1S/C22H31N5O4S2/c1-2-8-26-11-7-23-22(26)32-17-21(28)24-19-16-18(5-6-20(19)25-9-3-4-10-25)33(29,30)27-12-14-31-15-13-27/h5-7,11,16H,2-4,8-10,12-15,17H2,1H3,(H,24,28)