(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C26H23NO6S MolecularWeight: 477.52892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H23NO6S/c28-24-16-20(25-22-9-5-4-6-18(22)10-11-23(25)33-24)17-32-26(29)19-12-14-27(15-13-19)34(30,31)21-7-2-1-3-8-21/h1-11,16,19H,12-15,17H2