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

Systemtic Name: 2-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[2-(p-tolylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[2-[(4-methylphenyl)thio]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[2-(p-tolylthio)ethyl]-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)NCCSC3=CC=C(C=C3)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCSC3=CC=C(C=C3)C

InChI

InChI=1S/C21H26N2O3S2/c1-3-28(25,26)23-15-18-7-5-4-6-17(18)14-20(23)21(24)22-12-13-27-19-10-8-16(2)9-11-19/h4-11,20H,3,12-15H2,1-2H3,(H,22,24)