(4,7-dimethyl-2-oxidanylidene-chromen-5-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: (4,7-dimethyl-2-oxidanylidene-chromen-5-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (4,7-dimethyl-2-oxo-chromen-5-yl) (2S)-3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid (4,7-dimethyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4,7-dimethyl-2-oxochromen-5-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-(tosylamino)propionic acid (2-keto-4,7-dimethyl-chromen-5-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=CC(=CC4=C3C(=CC(=O)O4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC3=CC(=CC4=C3C(=CC(=O)O4)C)C

InChI

InChI=1S/C27H25NO6S/c1-17-9-11-21(12-10-17)35(31,32)28-22(16-20-7-5-4-6-8-20)27(30)34-24-14-18(2)13-23-26(24)19(3)15-25(29)33-23/h4-15,22,28H,16H2,1-3H3/t22-/m0/s1