(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)C

InChI

InChI=1S/C23H24N2O6S/c1-15-10-20-18(12-22(26)31-21(20)11-16(15)2)14-30-23(27)17-5-8-25(9-6-17)32(28,29)19-4-3-7-24-13-19/h3-4,7,10-13,17H,5-6,8-9,14H2,1-2H3