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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-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-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C19H23NO6S/c1-12-4-5-16-15(10-17(21)26-18(16)13(12)2)11-25-19(22)14-6-8-20(9-7-14)27(3,23)24/h4-5,10,14H,6-9,11H2,1-3H3