2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C19H20ClFN2O3S2 MolecularWeight: 442.955103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H20ClFN2O3S2/c20-17-4-3-5-18(21)16(17)12-27-13-19(24)22-14-6-8-15(9-7-14)28(25,26)23-10-1-2-11-23/h3-9H,1-2,10-13H2,(H,22,24)