(6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (6-chloro-2-oxo-4-propyl-chromen-7-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-propylchromen-7-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylisonipecotic acid (6-chloro-2-keto-4-propyl-chromen-7-yl) ester Formula: C25H26ClNO7S MolecularWeight: 519.99444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H26ClNO7S/c1-3-4-17-13-24(28)33-22-15-23(21(26)14-20(17)22)34-25(29)16-9-11-27(12-10-16)35(30,31)19-7-5-18(32-2)6-8-19/h5-8,13-16H,3-4,9-12H2,1-2H3