(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C21H17BrClNO6S MolecularWeight: 526.78478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br)Cl

InChI

InChI=1S/C21H17BrClNO6S/c22-15-4-5-16-14(10-20(25)30-18(16)11-15)12-29-21(26)13-3-6-17(23)19(9-13)31(27,28)24-7-1-2-8-24/h3-6,9-11H,1-2,7-8,12H2