(7-chloranyl-9-oxidanylidene-2,3-dihydro-1H-cyclopenta[b]chromen-6-yl) 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: (7-chloranyl-9-oxidanylidene-2,3-dihydro-1H-cyclopenta[b]chromen-6-yl) 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (7-chloro-9-oxo-2,3-dihydro-1H-cyclopenta[b]chromen-6-yl) 4-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid (7-chloro-9-oxo-2,3-dihydro-1H-cyclopenta[b][1]benzopyran-6-yl) ester IUPAC Name: (7-chloro-9-oxo-2,3-dihydro-1H-cyclopenta[b]chromen-6-yl) 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 4-methyl-2-(tosylamino)valeric acid (7-chloro-9-keto-2,3-dihydro-1H-cyclopenta[b]chromen-6-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=C3C(=C2)OC4=C(C3=O)CCC4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OC2=C(C=C3C(=C2)OC4=C(C3=O)CCC4)Cl

InChI

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