(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic 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)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C23H21ClFNO6S/c1-14-10-21-19(12-20(14)24)16(11-22(27)32-21)13-31-23(28)15-6-8-26(9-7-15)33(29,30)18-4-2-17(25)3-5-18/h2-5,10-12,15H,6-9,13H2,1H3