2-chloranyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[2-[(2-fluorophenyl)methylthio]ethyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[2-[(2-fluorobenzyl)thio]ethyl]-5-pyrrolidinosulfonyl-benzamide Formula: C20H22ClFN2O3S2 MolecularWeight: 456.981683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCSCC3=CC=CC=C3F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCSCC3=CC=CC=C3F

InChI

InChI=1S/C20H22ClFN2O3S2/c21-18-8-7-16(29(26,27)24-10-3-4-11-24)13-17(18)20(25)23-9-12-28-14-15-5-1-2-6-19(15)22/h1-2,5-8,13H,3-4,9-12,14H2,(H,23,25)