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

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (6-chloro-2-oxo-4-phenyl-chromen-7-yl) 4-(p-tolylsulfonylamino)butanoate CAS Name: 4-[(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) 4-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 4-(tosylamino)butyric acid (6-chloro-2-keto-4-phenyl-chromen-7-yl) ester Formula: C26H22ClNO6S MolecularWeight: 511.97398

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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)C4=CC=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClNO6S/c1-17-9-11-19(12-10-17)35(31,32)28-13-5-8-25(29)34-24-16-23-21(14-22(24)27)20(15-26(30)33-23)18-6-3-2-4-7-18/h2-4,6-7,9-12,14-16,28H,5,8,13H2,1H3