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

Systemtic Name: (8-methyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (8-methyl-2-oxo-4-phenyl-chromen-7-yl) 4-(p-tolylsulfonylamino)butanoate CAS Name: 4-[(4-methylphenyl)sulfonylamino]butanoic acid (8-methyl-2-oxo-4-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (8-methyl-2-oxo-4-phenylchromen-7-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 4-(tosylamino)butyric acid (2-keto-8-methyl-4-phenyl-chromen-7-yl) ester Formula: C27H25NO6S MolecularWeight: 491.5555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)OC2=C(C3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)OC2=C(C3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H25NO6S/c1-18-10-12-21(13-11-18)35(31,32)28-16-6-9-25(29)33-24-15-14-22-23(20-7-4-3-5-8-20)17-26(30)34-27(22)19(24)2/h3-5,7-8,10-15,17,28H,6,9,16H2,1-2H3