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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C24H25NO6S MolecularWeight: 455.5234

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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=C3C=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)C

InChI

InChI=1S/C24H25NO6S/c1-16-3-6-20(7-4-16)32(28,29)25-11-9-18(10-12-25)24(27)30-15-19-14-23(26)31-22-13-17(2)5-8-21(19)22/h3-8,13-14,18H,9-12,15H2,1-2H3