2-ethylsulfonyl-N-(6-methoxypyridin-3-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-(6-methoxypyridin-3-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-(6-methoxy-3-pyridyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-(6-methoxy-3-pyridinyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-(6-methoxypyridin-3-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(6-methoxy-3-pyridyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CN=C(C=C3)OC

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CN=C(C=C3)OC

InChI

InChI=1S/C18H21N3O4S/c1-3-26(23,24)21-12-14-7-5-4-6-13(14)10-16(21)18(22)20-15-8-9-17(25-2)19-11-15/h4-9,11,16H,3,10,12H2,1-2H3,(H,20,22)