(3R)-3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3R)-3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3R)-3-methyl-N-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-3-methyl-N-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3R)-1-keto-3-methyl-N-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)isochroman-3-carboxamide Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCCC5

Isomeric SMILES

C[C@@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCCC5

InChI

InChI=1S/C25H29N3O6S/c1-25(17-18-6-2-3-7-20(18)23(29)34-25)24(30)26-21-16-19(8-9-22(21)27-10-4-5-11-27)35(31,32)28-12-14-33-15-13-28/h2-3,6-9,16H,4-5,10-15,17H2,1H3,(H,26,30)/t25-/m1/s1