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

Systemtic Name: (6-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (6-chloro-4-methyl-2-oxo-chromen-7-yl) 2-(p-tolylsulfonylamino)pentanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]pentanoic acid (6-chloro-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-4-methyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 2-(tosylamino)valeric acid (6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C22H22ClNO6S MolecularWeight: 463.93118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO6S/c1-4-5-18(24-31(27,28)15-8-6-13(2)7-9-15)22(26)30-20-12-19-16(11-17(20)23)14(3)10-21(25)29-19/h6-12,18,24H,4-5H2,1-3H3