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

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (6-chloro-2-oxo-4-phenyl-chromen-7-yl) 3-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic 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]pentanoate Traditional Name: 3-methyl-2-(tosylamino)valeric acid (6-chloro-2-keto-4-phenyl-chromen-7-yl) ester Formula: C28H26ClNO6S MolecularWeight: 540.02714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C)C(C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H26ClNO6S/c1-4-18(3)27(30-37(33,34)20-12-10-17(2)11-13-20)28(32)36-25-16-24-22(14-23(25)29)21(15-26(31)35-24)19-8-6-5-7-9-19/h5-16,18,27,30H,4H2,1-3H3