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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H21NO7S MolecularWeight: 443.46964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21NO7S/c24-17-6-7-19-16(12-21(25)30-20(19)13-17)14-29-22(26)15-8-10-23(11-9-15)31(27,28)18-4-2-1-3-5-18/h1-7,12-13,15,24H,8-11,14H2