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

Systemtic Name: (3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(2,4-dimethoxybenzyl)-2-esyl-N-methyl-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)N(C)CC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N(C)CC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N2O5S/c1-5-30(26,27)24-15-17-9-7-6-8-16(17)12-20(24)22(25)23(2)14-18-10-11-19(28-3)13-21(18)29-4/h6-11,13,20H,5,12,14-15H2,1-4H3/t20-/m0/s1