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

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H24N2O5S/c1-4-28(24,25)22-13-15-8-6-5-7-14(15)11-17(22)20(23)21-16-9-10-18(26-2)19(12-16)27-3/h5-10,12,17H,4,11,13H2,1-3H3,(H,21,23)