N-(2-methyl-5-methylsulfonyl-phenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-(2-methyl-5-methylsulfonyl-phenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-(2-methyl-5-methylsulfonyl-phenyl)-1-oxo-isochromane-3-carboxamide CAS Name: N-(2-methyl-5-methylsulfonylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(2-methyl-5-methylsulfonylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 1-keto-N-(5-mesyl-2-methyl-phenyl)isochroman-3-carboxamide Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C18H17NO5S/c1-11-7-8-13(25(2,22)23)10-15(11)19-17(20)16-9-12-5-3-4-6-14(12)18(21)24-16/h3-8,10,16H,9H2,1-2H3,(H,19,20)