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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-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-2-carboxylate Traditional Name: 1-besylpipecolinic 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)C3CCCCN3S(=O)(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCCCN3S(=O)(=O)C4=CC=CC=C4)Cl

InChI

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