(6-chloranyl-4-ethyl-2-oxidanylidene-chromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (6-chloranyl-4-ethyl-2-oxidanylidene-chromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (6-chloro-4-ethyl-2-oxo-chromen-7-yl) 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid (6-chloro-4-ethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-4-ethyl-2-oxochromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (6-chloro-4-ethyl-2-keto-chromen-7-yl) ester Formula: C21H20ClNO6S MolecularWeight: 449.9046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO6S/c1-3-14-10-21(25)28-18-12-19(17(22)11-16(14)18)29-20(24)8-9-23-30(26,27)15-6-4-13(2)5-7-15/h4-7,10-12,23H,3,8-9H2,1-2H3