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

Systemtic Name: (6-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (6-chloro-4-methyl-2-oxo-chromen-7-yl) 4-(p-tolylsulfonylamino)butanoate CAS Name: 4-[(4-methylphenyl)sulfonylamino]butanoic acid (6-chloro-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-4-methyl-2-oxochromen-7-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 4-(tosylamino)butyric acid (6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C21H20ClNO6S MolecularWeight: 449.9046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO6S/c1-13-5-7-15(8-6-13)30(26,27)23-9-3-4-20(24)29-19-12-18-16(11-17(19)22)14(2)10-21(25)28-18/h5-8,10-12,23H,3-4,9H2,1-2H3