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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H22ClNO6S MolecularWeight: 475.94188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H22ClNO6S/c1-15-11-21-19(13-20(15)24)17(12-22(26)31-21)14-30-23(27)16-7-9-25(10-8-16)32(28,29)18-5-3-2-4-6-18/h2-6,11-13,16H,7-10,14H2,1H3