(2R)-4-methyl-2-[(1R)-2-(4-methylphenyl)sulfonyl-1H-isoquinolin-1-yl]-2H-furan-5-one

Systemtic Name: (2R)-4-methyl-2-[(1R)-2-(4-methylphenyl)sulfonyl-1H-isoquinolin-1-yl]-2H-furan-5-one Openeye Name: (2R)-4-methyl-2-[(1R)-2-(p-tolylsulfonyl)-1H-isoquinolin-1-yl]-2H-furan-5-one CAS Name: (2R)-4-methyl-2-[(1R)-2-(4-methylphenyl)sulfonyl-1H-isoquinolin-1-yl]-2H-furan-5-one IUPAC Name: (2R)-4-methyl-2-[(1R)-2-(4-methylphenyl)sulfonyl-1H-isoquinolin-1-yl]-2H-furan-5-one Traditional Name: (2R)-4-methyl-2-[(1R)-2-tosyl-1H-isoquinolin-1-yl]-2H-furan-5-one Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=CC=CC=C3C2C4C=C(C(=O)O4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=CC=CC=C3[C@@H]2[C@H]4C=C(C(=O)O4)C

InChI

InChI=1S/C21H19NO4S/c1-14-7-9-17(10-8-14)27(24,25)22-12-11-16-5-3-4-6-18(16)20(22)19-13-15(2)21(23)26-19/h3-13,19-20H,1-2H3/t19-,20-/m1/s1