2-ethylsulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[2-(phenylmethylthio)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S2/c1-2-28(25,26)23-15-19-11-7-6-10-18(19)14-20(23)21(24)22-12-13-27-16-17-8-4-3-5-9-17/h3-11,20H,2,12-16H2,1H3,(H,22,24)