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

Systemtic Name: (7-chloranyl-9-oxidanylidene-2,3-dihydro-1H-cyclopenta[b]chromen-6-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (7-chloro-9-oxo-2,3-dihydro-1H-cyclopenta[b]chromen-6-yl) 3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic 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) 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-(tosylamino)propionic acid (7-chloro-9-keto-2,3-dihydro-1H-cyclopenta[b]chromen-6-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=C4C(=C3)OC5=C(C4=O)CCC5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC3=C(C=C4C(=C3)OC5=C(C4=O)CCC5)Cl

InChI

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