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

Systemtic Name: 2-ethylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[[2-(benzyloxymethyl)phenyl]methyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-(benzoxymethyl)benzyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=CC=C3COCC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=CC=C3COCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4S/c1-2-34(31,32)29-18-24-14-8-6-12-22(24)16-26(29)27(30)28-17-23-13-7-9-15-25(23)20-33-19-21-10-4-3-5-11-21/h3-15,26H,2,16-20H2,1H3,(H,28,30)