(8-chloranyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: (8-chloranyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-(p-tolylsulfonylamino)butanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]butanoic acid (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester IUPAC Name: (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 2-(tosylamino)butyric acid (8-chloro-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C23H22ClNO6S MolecularWeight: 475.94188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1=C(C=C2C3=C(CCC3)C(=O)OC2=C1)Cl)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C(=O)OC1=C(C=C2C3=C(CCC3)C(=O)OC2=C1)Cl)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H22ClNO6S/c1-3-19(25-32(28,29)14-9-7-13(2)8-10-14)23(27)31-21-12-20-17(11-18(21)24)15-5-4-6-16(15)22(26)30-20/h7-12,19,25H,3-6H2,1-2H3