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

Systemtic Name: N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: N-(4-chloro-3-morpholinosulfonyl-phenyl)-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: N-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: N-(4-chloro-3-morpholinosulfonyl-phenyl)-1-keto-3-methyl-isochroman-3-carboxamide Formula: C21H21ClN2O6S MolecularWeight: 464.91924

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H21ClN2O6S/c1-21(13-14-4-2-3-5-16(14)19(25)30-21)20(26)23-15-6-7-17(22)18(12-15)31(27,28)24-8-10-29-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,23,26)