2-[(4-chlorophenyl)methylsulfanyl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)ethanamide

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-[(4-chlorophenyl)methylthio]-N-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(4-chlorobenzyl)thio]-N-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)acetamide Formula: C23H28ClN3O4S2 MolecularWeight: 510.06912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CSCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CSCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H28ClN3O4S2/c24-19-5-3-18(4-6-19)16-32-17-23(28)25-21-15-20(7-8-22(21)26-9-1-2-10-26)33(29,30)27-11-13-31-14-12-27/h3-8,15H,1-2,9-14,16-17H2,(H,25,28)