(3R)-N-methyl-2-(4-morpholin-4-ylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-methyl-2-(4-morpholin-4-ylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-methyl-2-(4-morpholinosulfonylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-methyl-2-[4-(4-morpholinylsulfonyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-methyl-2-(4-morpholin-4-ylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-methyl-2-(4-morpholinosulfonylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CNC(=O)[C@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H25N3O6S2/c1-22-21(25)20-14-16-4-2-3-5-17(16)15-24(20)32(28,29)19-8-6-18(7-9-19)31(26,27)23-10-12-30-13-11-23/h2-9,20H,10-15H2,1H3,(H,22,25)/t20-/m1/s1