(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C23H23NO7S MolecularWeight: 457.49622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO7S/c1-29-18-7-8-20-17(13-22(25)31-21(20)14-18)15-30-23(26)16-9-11-24(12-10-16)32(27,28)19-5-3-2-4-6-19/h2-8,13-14,16H,9-12,15H2,1H3