(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(prop-2-ynylsulfamoyl)benzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-(prop-2-ynylsulfamoyl)benzoate CAS Name: 4-(prop-2-ynylsulfamoyl)benzoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 4-(propargylsulfamoyl)benzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H16ClNO6S MolecularWeight: 445.87284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C)Cl

InChI

InChI=1S/C21H16ClNO6S/c1-3-8-23-30(26,27)16-6-4-14(5-7-16)21(25)28-12-15-10-20(24)29-19-9-13(2)18(22)11-17(15)19/h1,4-7,9-11,23H,8,12H2,2H3