(3R)-2-(3-pyrrolidin-1-ylsulfonylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-(3-pyrrolidin-1-ylsulfonylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-(3-pyrrolidin-1-ylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-(3-pyrrolidin-1-ylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-(3-pyrrolidinosulfonylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC4=CC=CC=C4CC3C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC4=CC=CC=C4C[C@@H]3C(=O)N

InChI

InChI=1S/C21H23N3O4S/c22-20(25)19-13-15-6-1-2-7-17(15)14-24(19)21(26)16-8-5-9-18(12-16)29(27,28)23-10-3-4-11-23/h1-2,5-9,12,19H,3-4,10-11,13-14H2,(H2,22,25)/t19-/m1/s1