(3S)-N-(4-morpholin-4-ylsulfonylphenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3S)-N-(4-morpholin-4-ylsulfonylphenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3S)-N-(4-morpholinosulfonylphenyl)-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-[4-(4-morpholinylsulfonyl)phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-(4-morpholin-4-ylsulfonylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3S)-1-keto-N-(4-morpholinosulfonylphenyl)isochroman-3-carboxamide Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@@H]3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C20H20N2O6S/c23-19(18-13-14-3-1-2-4-17(14)20(24)28-18)21-15-5-7-16(8-6-15)29(25,26)22-9-11-27-12-10-22/h1-8,18H,9-13H2,(H,21,23)/t18-/m0/s1