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

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (6-chloro-2-oxo-4-propyl-chromen-7-yl) 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid (6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-propylchromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (6-chloro-2-keto-4-propyl-chromen-7-yl) ester Formula: C22H22ClNO6S MolecularWeight: 463.93118

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H22ClNO6S/c1-3-4-15-11-22(26)29-19-13-20(18(23)12-17(15)19)30-21(25)9-10-24-31(27,28)16-7-5-14(2)6-8-16/h5-8,11-13,24H,3-4,9-10H2,1-2H3