(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H22N2O7S/c1-29-17-4-5-19-16(11-21(25)31-20(19)12-17)14-30-22(26)15-6-9-24(10-7-15)32(27,28)18-3-2-8-23-13-18/h2-5,8,11-13,15H,6-7,9-10,14H2,1H3