N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

Systemtic Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide Openeye Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide CAS Name: N-[2-[(3-chlorophenyl)methylthio]ethyl]-4-(1-pyrrolidinylsulfonylmethyl)benzamide IUPAC Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide Traditional Name: N-[2-[(3-chlorobenzyl)thio]ethyl]-4-(pyrrolidinosulfonylmethyl)benzamide Formula: C21H25ClN2O3S2 MolecularWeight: 453.0178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)NCCSCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)NCCSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H25ClN2O3S2/c22-20-5-3-4-18(14-20)15-28-13-10-23-21(25)19-8-6-17(7-9-19)16-29(26,27)24-11-1-2-12-24/h3-9,14H,1-2,10-13,15-16H2,(H,23,25)