(4,8-dimethyl-2-oxidanylidene-chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: (4,8-dimethyl-2-oxidanylidene-chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (4,8-dimethyl-2-oxo-chromen-7-yl) 3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid (4,8-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4,8-dimethyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-(tosylamino)propionic acid (2-keto-4,8-dimethyl-chromen-7-yl) ester Formula: C27H25NO6S MolecularWeight: 491.5555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC3=C(C4=C(C=C3)C(=CC(=O)O4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC3=C(C4=C(C=C3)C(=CC(=O)O4)C)C

InChI

InChI=1S/C27H25NO6S/c1-17-9-11-21(12-10-17)35(31,32)28-23(16-20-7-5-4-6-8-20)27(30)33-24-14-13-22-18(2)15-25(29)34-26(22)19(24)3/h4-15,23,28H,16H2,1-3H3