(3S)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-3-methyl-N-(4-methyl-3-morpholinosulfonyl-phenyl)-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-3-methyl-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-1-keto-3-methyl-N-(4-methyl-3-morpholinosulfonyl-phenyl)isochroman-3-carboxamide Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@@]2(CC3=CC=CC=C3C(=O)O2)C)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H24N2O6S/c1-15-7-8-17(13-19(15)31(27,28)24-9-11-29-12-10-24)23-21(26)22(2)14-16-5-3-4-6-18(16)20(25)30-22/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)/t22-/m0/s1