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

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (6-chloro-2-oxo-4-phenyl-chromen-7-yl) 3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid (6-chloro-2-oxo-4-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-phenylchromen-7-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-(tosylamino)butyric acid (6-chloro-2-keto-4-phenyl-chromen-7-yl) ester Formula: C27H24ClNO6S MolecularWeight: 526.00056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC2=C(C=C3C(=CC(=O)OC3=C2)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC2=C(C=C3C(=CC(=O)OC3=C2)C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H24ClNO6S/c1-16(2)26(29-36(32,33)19-11-9-17(3)10-12-19)27(31)35-24-15-23-21(13-22(24)28)20(14-25(30)34-23)18-7-5-4-6-8-18/h4-16,26,29H,1-3H3