N-[2-(phenylmethylsulfanyl)ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide Openeye Name: N-(2-benzylsulfanylethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide CAS Name: N-[2-(phenylmethylthio)ethyl]-4-(1-pyrrolidinylsulfonylmethyl)benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide Traditional Name: N-[2-(benzylthio)ethyl]-4-(pyrrolidinosulfonylmethyl)benzamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c24-21(22-12-15-27-16-18-6-2-1-3-7-18)20-10-8-19(9-11-20)17-28(25,26)23-13-4-5-14-23/h1-3,6-11H,4-5,12-17H2,(H,22,24)