2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)acetamide Formula: C23H26N4O4S3 MolecularWeight: 518.67194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H26N4O4S3/c28-22(16-32-23-25-18-5-1-2-6-21(18)33-23)24-19-15-17(7-8-20(19)26-9-3-4-10-26)34(29,30)27-11-13-31-14-12-27/h1-2,5-8,15H,3-4,9-14,16H2,(H,24,28)