(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C22H20ClNO7S MolecularWeight: 477.9147

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClNO7S/c1-29-16-6-9-18-14(11-21(25)31-20(18)12-16)13-30-22(26)19-3-2-10-24(19)32(27,28)17-7-4-15(23)5-8-17/h4-9,11-12,19H,2-3,10,13H2,1H3/t19-/m0/s1