(3R)-1-oxidanylidene-N-(3-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3R)-1-oxidanylidene-N-(3-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-1-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)isochromane-3-carboxamide CAS Name: (3R)-1-oxo-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-1-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-1-keto-N-(3-pyrrolidinosulfonylphenyl)isochroman-3-carboxamide Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)[C@H]3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C20H20N2O5S/c23-19(18-12-14-6-1-2-9-17(14)20(24)27-18)21-15-7-5-8-16(13-15)28(25,26)22-10-3-4-11-22/h1-2,5-9,13,18H,3-4,10-12H2,(H,21,23)/t18-/m1/s1