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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC=C(C=C1)CNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC

Isomeric SMILES

CCOCC1=CC=C(C=C1)CNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC

InChI

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