(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-cyanophenyl)sulfonylamino]ethanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-cyanophenyl)sulfonylamino]ethanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate CAS Name: 2-[(4-cyanophenyl)sulfonylamino]acetic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-cyanophenyl)sulfonylamino]acetic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CNS(=O)(=O)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CNS(=O)(=O)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C21H18N2O6S/c1-13-3-8-18-16(9-19(24)29-21(18)14(13)2)12-28-20(25)11-23-30(26,27)17-6-4-15(10-22)5-7-17/h3-9,23H,11-12H2,1-2H3