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

Systemtic Name: 2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CCOC3=CC=CC(=C3)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CCOC3=CC=CC(=C3)C

InChI

InChI=1S/C22H28N2O4S/c1-4-29(26,27)24-16-19-10-6-5-9-18(19)15-21(24)22(25)23(3)12-13-28-20-11-7-8-17(2)14-20/h5-11,14,21H,4,12-13,15-16H2,1-3H3