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

Systemtic Name: (3R)-2-(4-morpholin-4-ylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-(4-morpholinosulfonylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-[4-(4-morpholinylsulfonyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-(4-morpholin-4-ylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-(4-morpholinosulfonylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC4=CC=CC=C4C[C@@H]3C(=O)N

InChI

InChI=1S/C20H23N3O6S2/c21-20(24)19-13-15-3-1-2-4-16(15)14-23(19)31(27,28)18-7-5-17(6-8-18)30(25,26)22-9-11-29-12-10-22/h1-8,19H,9-14H2,(H2,21,24)/t19-/m1/s1