(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C25H20ClNO6S MolecularWeight: 497.9474

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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=C3C5=CC=CC=C5C=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)Cl

InChI

InChI=1S/C25H20ClNO6S/c26-20-9-7-17(13-22(20)34(30,31)27-11-3-4-12-27)25(29)32-15-18-14-23(28)33-21-10-8-16-5-1-2-6-19(16)24(18)21/h1-2,5-10,13-14H,3-4,11-12,15H2