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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-homoveratryl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N2O5S/c1-4-30(26,27)24-15-18-8-6-5-7-17(18)14-19(24)22(25)23-12-11-16-9-10-20(28-2)21(13-16)29-3/h5-10,13,19H,4,11-12,14-15H2,1-3H3,(H,23,25)