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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C26H29NO7S MolecularWeight: 499.57596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OCC

InChI

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