(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)S(=O)(=O)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)S(=O)(=O)C)C(C)C

InChI

InChI=1S/C21H27NO6S/c1-13(2)17-11-18-16(10-20(23)28-19(18)9-14(17)3)12-27-21(24)15-5-7-22(8-6-15)29(4,25)26/h9-11,13,15H,5-8,12H2,1-4H3