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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (7-methoxy-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-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C26H29NO7S MolecularWeight: 499.57596

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO7S/c1-16-11-17(2)25(18(3)12-16)35(30,31)27-9-7-19(8-10-27)26(29)33-15-20-13-24(28)34-23-14-21(32-4)5-6-22(20)23/h5-6,11-14,19H,7-10,15H2,1-4H3