(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H22N2O7S/c1-12(22)20-15-3-4-16-14(9-18(23)28-17(16)10-15)11-27-19(24)13-5-7-21(8-6-13)29(2,25)26/h3-4,9-10,13H,5-8,11H2,1-2H3,(H,20,22)