(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C21H18BrNO6S MolecularWeight: 492.33972

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C21H18BrNO6S/c1-30(26,27)23-11-14-5-3-2-4-13(14)8-18(23)21(25)28-12-15-9-20(24)29-19-10-16(22)6-7-17(15)19/h2-7,9-10,18H,8,11-12H2,1H3/t18-/m0/s1