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

Systemtic Name: (8-chloranyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic 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) 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 3-methyl-2-(tosylamino)valeric acid (8-chloro-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C25H26ClNO6S MolecularWeight: 503.99504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(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)C(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/C25H26ClNO6S/c1-4-15(3)23(27-34(30,31)16-10-8-14(2)9-11-16)25(29)33-22-13-21-19(12-20(22)26)17-6-5-7-18(17)24(28)32-21/h8-13,15,23,27H,4-7H2,1-3H3