2-chloranyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[2-(2-furylmethylsulfanyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[2-(2-furanylmethylthio)ethyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[2-(2-furfurylthio)ethyl]-5-pyrrolidinosulfonyl-benzamide Formula: C18H21ClN2O4S2 MolecularWeight: 428.95334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCSCC3=CC=CO3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C18H21ClN2O4S2/c19-17-6-5-15(27(23,24)21-8-1-2-9-21)12-16(17)18(22)20-7-11-26-13-14-4-3-10-25-14/h3-6,10,12H,1-2,7-9,11,13H2,(H,20,22)