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

Systemtic Name: 2-ethylsulfonyl-N-[(4-methoxyphenyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[(4-methoxyphenyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[(4-methoxyphenyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[(4-methoxyphenyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-methyl-N-p-anisyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O4S/c1-4-28(25,26)23-15-18-8-6-5-7-17(18)13-20(23)21(24)22(2)14-16-9-11-19(27-3)12-10-16/h5-12,20H,4,13-15H2,1-3H3