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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)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-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C24H24ClNO6S MolecularWeight: 489.96846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

InChI

InChI=1S/C24H24ClNO6S/c1-15-3-5-19(6-4-15)33(29,30)26-9-7-17(8-10-26)24(28)31-14-18-12-23(27)32-22-11-16(2)21(25)13-20(18)22/h3-6,11-13,17H,7-10,14H2,1-2H3