(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H22ClNO6S MolecularWeight: 463.93118

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)C)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)C)C)Cl

InChI

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