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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C18H21NO7S MolecularWeight: 395.42684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3CCN(CC3)S(=O)(=O)C)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3CCN(CC3)S(=O)(=O)C)O

InChI

InChI=1S/C18H21NO7S/c1-11-15(20)4-3-14-13(9-16(21)26-17(11)14)10-25-18(22)12-5-7-19(8-6-12)27(2,23)24/h3-4,9,12,20H,5-8,10H2,1-2H3