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

Systemtic Name: (6-chloranyl-9-oxidanylidene-2,3-dihydro-1H-cyclopenta[b]chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (6-chloro-9-oxo-2,3-dihydro-1H-cyclopenta[b]chromen-7-yl) 2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]propanoic acid (6-chloro-9-oxo-2,3-dihydro-1H-cyclopenta[b][1]benzopyran-7-yl) ester IUPAC Name: (6-chloro-9-oxo-2,3-dihydro-1H-cyclopenta[b]chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 2-(tosylamino)propionic acid (6-chloro-9-keto-2,3-dihydro-1H-cyclopenta[b]chromen-7-yl) ester Formula: C22H20ClNO6S MolecularWeight: 461.9153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=C(C=C3C(=C2)C(=O)C4=C(O3)CCC4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=C(C=C3C(=C2)C(=O)C4=C(O3)CCC4)Cl

InChI

InChI=1S/C22H20ClNO6S/c1-12-6-8-14(9-7-12)31(27,28)24-13(2)22(26)30-20-10-16-19(11-17(20)23)29-18-5-3-4-15(18)21(16)25/h6-11,13,24H,3-5H2,1-2H3