(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxylic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylnipecotic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C23H22ClNO7S MolecularWeight: 491.94128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H22ClNO7S/c1-30-18-6-9-20-16(11-22(26)32-21(20)12-18)14-31-23(27)15-3-2-10-25(13-15)33(28,29)19-7-4-17(24)5-8-19/h4-9,11-12,15H,2-3,10,13-14H2,1H3