(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid (2-keto-7,8-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=C2C=CC(=C3C)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)C

InChI

InChI=1S/C20H25NO6S/c1-4-28(24,25)21-9-7-15(8-10-21)20(23)26-12-16-11-18(22)27-19-14(3)13(2)5-6-17(16)19/h5-6,11,15H,4,7-10,12H2,1-3H3