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

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) (2S)-3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-(tosylamino)propionic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C26H23NO6S MolecularWeight: 477.52892

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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=CC4=C(C=C3)C(=CC(=O)O4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C

InChI

InChI=1S/C26H23NO6S/c1-17-8-11-21(12-9-17)34(30,31)27-23(15-19-6-4-3-5-7-19)26(29)32-20-10-13-22-18(2)14-25(28)33-24(22)16-20/h3-14,16,23,27H,15H2,1-2H3/t23-/m0/s1