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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-veratryl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

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