(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCCN3S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCCN3S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C24H25NO6S/c1-16-11-12-20-18(14-22(26)31-23(20)17(16)2)15-30-24(27)21-10-6-7-13-25(21)32(28,29)19-8-4-3-5-9-19/h3-5,8-9,11-12,14,21H,6-7,10,13,15H2,1-2H3