(3R)-N-methyl-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-methyl-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-methyl-2-[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-[4-(2-ketopyrrolidino)phenyl]sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

CNC(=O)[C@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C21H23N3O4S/c1-22-21(26)19-13-15-5-2-3-6-16(15)14-24(19)29(27,28)18-10-8-17(9-11-18)23-12-4-7-20(23)25/h2-3,5-6,8-11,19H,4,7,12-14H2,1H3,(H,22,26)/t19-/m1/s1