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

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-ethoxy-3-methoxy-benzyl)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)C)OC

InChI

InChI=1S/C27H30N2O5S/c1-4-34-25-14-11-20(15-26(25)33-3)17-28-27(30)24-16-21-7-5-6-8-22(21)18-29(24)35(31,32)23-12-9-19(2)10-13-23/h5-15,24H,4,16-18H2,1-3H3,(H,28,30)