(6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: (6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid (6-chloro-3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-(tosylamino)propionic acid (6-chloro-2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C27H24ClNO6S MolecularWeight: 526.00056

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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(=C(C(=O)OC4=C3)C)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC3=C(C=C4C(=C(C(=O)OC4=C3)C)C)Cl

InChI

InChI=1S/C27H24ClNO6S/c1-16-9-11-20(12-10-16)36(32,33)29-23(13-19-7-5-4-6-8-19)27(31)35-25-15-24-21(14-22(25)28)17(2)18(3)26(30)34-24/h4-12,14-15,23,29H,13H2,1-3H3