N-[(4-ethoxyphenyl)methyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(4-ethoxyphenyl)methyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(4-ethoxyphenyl)methyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(4-ethoxyphenyl)methyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-ethoxybenzyl)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C

InChI

InChI=1S/C20H24N2O4S/c1-3-26-18-10-8-15(9-11-18)13-21-20(23)19-12-16-6-4-5-7-17(16)14-22(19)27(2,24)25/h4-11,19H,3,12-14H2,1-2H3,(H,21,23)