3-[2-(phenylmethylsulfanyl)ethylsulfonyl]propanamide

Systemtic Name: 3-[2-(phenylmethylsulfanyl)ethylsulfonyl]propanamide Openeye Name: 3-(2-benzylsulfanylethylsulfonyl)propanamide CAS Name: 3-[2-(phenylmethylthio)ethylsulfonyl]propanamide IUPAC Name: 3-(2-benzylsulfanylethylsulfonyl)propanamide Traditional Name: 3-[2-(benzylthio)ethylsulfonyl]propionamide Formula: C12H17NO3S2 MolecularWeight: 287.39828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCS(=O)(=O)CCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSCCS(=O)(=O)CCC(=O)N

InChI

InChI=1S/C12H17NO3S2/c13-12(14)6-8-18(15,16)9-7-17-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,13,14)