(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H21ClFNO6S MolecularWeight: 493.932343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4)Cl

InChI

InChI=1S/C23H21ClFNO6S/c1-14-9-20-17(12-18(14)24)16(11-22(27)32-20)13-31-23(28)15-5-6-19(25)21(10-15)33(29,30)26-7-3-2-4-8-26/h5-6,9-12H,2-4,7-8,13H2,1H3