(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C25H27NO7S MolecularWeight: 485.54938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO7S/c1-15-10-16(2)24(17(3)11-15)34(30,31)26-8-6-18(7-9-26)25(29)32-14-19-12-23(28)33-22-13-20(27)4-5-21(19)22/h4-5,10-13,18,27H,6-9,14H2,1-3H3