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

Systemtic Name: (6-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (6-chloro-4-methyl-2-oxo-chromen-7-yl) 3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid (6-chloro-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-4-methyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-(tosylamino)propionic acid (6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C26H22ClNO6S MolecularWeight: 511.97398

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClNO6S/c1-16-8-10-19(11-9-16)35(31,32)28-22(13-18-6-4-3-5-7-18)26(30)34-24-15-23-20(14-21(24)27)17(2)12-25(29)33-23/h3-12,14-15,22,28H,13H2,1-2H3