(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C

InChI

InChI=1S/C20H25NO6S/c1-4-28(24,25)21-7-5-15(6-8-21)20(23)26-12-16-11-19(22)27-18-10-14(3)13(2)9-17(16)18/h9-11,15H,4-8,12H2,1-3H3