(6-chloranyl-4-ethyl-2-oxidanylidene-chromen-7-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: (6-chloranyl-4-ethyl-2-oxidanylidene-chromen-7-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (6-chloro-4-ethyl-2-oxo-chromen-7-yl) 4-(p-tolylsulfonylamino)butanoate CAS Name: 4-[(4-methylphenyl)sulfonylamino]butanoic acid (6-chloro-4-ethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-4-ethyl-2-oxochromen-7-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 4-(tosylamino)butyric acid (6-chloro-4-ethyl-2-keto-chromen-7-yl) ester Formula: C22H22ClNO6S MolecularWeight: 463.93118

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCCNS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCCNS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H22ClNO6S/c1-3-15-11-22(26)29-19-13-20(18(23)12-17(15)19)30-21(25)5-4-10-24-31(27,28)16-8-6-14(2)7-9-16/h6-9,11-13,24H,3-5,10H2,1-2H3