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

Systemtic Name: (8-chloranyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic 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) 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-(tosylamino)propionic acid (8-chloro-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C28H24ClNO6S MolecularWeight: 538.01126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC3=C(C=C4C5=C(CCC5)C(=O)OC4=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC3=C(C=C4C5=C(CCC5)C(=O)OC4=C3)Cl

InChI

InChI=1S/C28H24ClNO6S/c1-17-10-12-19(13-11-17)37(33,34)30-24(14-18-6-3-2-4-7-18)28(32)36-26-16-25-22(15-23(26)29)20-8-5-9-21(20)27(31)35-25/h2-4,6-7,10-13,15-16,24,30H,5,8-9,14H2,1H3