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

Systemtic Name: (8-chloranyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 4-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) 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 4-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:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OC2=C(C=C3C4=C(CCC4)C(=O)OC3=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OC2=C(C=C3C4=C(CCC4)C(=O)OC3=C2)Cl

InChI

InChI=1S/C25H26ClNO6S/c1-14(2)11-21(27-34(30,31)16-9-7-15(3)8-10-16)25(29)33-23-13-22-19(12-20(23)26)17-5-4-6-18(17)24(28)32-22/h7-10,12-14,21,27H,4-6,11H2,1-3H3