(3R)-N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-(2,5-diethoxy-4-morpholino-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-(2,5-diethoxy-4-morpholino-phenyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H35N3O6S MolecularWeight: 517.6376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)CC

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)[C@H]3CC4=CC=CC=C4CN3S(=O)(=O)CC

InChI

InChI=1S/C26H35N3O6S/c1-4-34-24-17-22(28-11-13-33-14-12-28)25(35-5-2)16-21(24)27-26(30)23-15-19-9-7-8-10-20(19)18-29(23)36(31,32)6-3/h7-10,16-17,23H,4-6,11-15,18H2,1-3H3,(H,27,30)/t23-/m1/s1