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

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-ethoxy-3-methoxy-benzyl)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-4-28-19-10-9-15(11-20(19)27-2)13-22-21(24)18-12-16-7-5-6-8-17(16)14-23(18)29(3,25)26/h5-11,18H,4,12-14H2,1-3H3,(H,22,24)