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

Systemtic Name: 2-ethylsulfonyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[[2-(1-piperidylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[[2-(1-piperidinylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[2-(piperidinomethyl)benzyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=CC=C3CN4CCCCC4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=CC=C3CN4CCCCC4

InChI

InChI=1S/C25H33N3O3S/c1-2-32(30,31)28-19-23-13-6-4-10-20(23)16-24(28)25(29)26-17-21-11-5-7-12-22(21)18-27-14-8-3-9-15-27/h4-7,10-13,24H,2-3,8-9,14-19H2,1H3,(H,26,29)