2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-(3-pyridylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-(3-pyridinylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(3-pyridylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C18H21N3O3S/c1-2-25(23,24)21-13-16-8-4-3-7-15(16)10-17(21)18(22)20-12-14-6-5-9-19-11-14/h3-9,11,17H,2,10,12-13H2,1H3,(H,20,22)