(6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: (6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 4-(p-tolylsulfonylamino)butanoate CAS Name: 4-[(4-methylphenyl)sulfonylamino]butanoic acid (6-chloro-3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 4-(tosylamino)butyric acid (6-chloro-2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C22H22ClNO6S MolecularWeight: 463.93118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)OC2=C(C=C3C(=C(C(=O)OC3=C2)C)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)OC2=C(C=C3C(=C(C(=O)OC3=C2)C)C)Cl

InChI

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