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

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

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

Isomeric SMILES

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

InChI

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