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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)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-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H27NO7S MolecularWeight: 485.54938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)C

InChI

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