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

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H23ClN2O3S2 MolecularWeight: 438.99122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O3S2/c1-2-28(25,26)23-14-16-6-4-3-5-15(16)13-19(23)20(24)22-11-12-27-18-9-7-17(21)8-10-18/h3-10,19H,2,11-14H2,1H3,(H,22,24)