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

Systemtic Name: [3-(4-nitrophenyl)-4-oxidanylidene-chromen-7-yl] (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: [3-(4-nitrophenyl)-4-oxo-chromen-7-yl] (2R)-3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid [3-(4-nitrophenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-nitrophenyl)-4-oxochromen-7-yl] (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2R)-3-phenyl-2-(tosylamino)propionic acid [4-keto-3-(4-nitrophenyl)chromen-7-yl] ester Formula: C31H24N2O8S MolecularWeight: 584.59586

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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(=O)C(=CO4)C5=CC=C(C=C5)[N+](=O)[O-]

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(=O)C(=CO4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H24N2O8S/c1-20-7-14-25(15-8-20)42(38,39)32-28(17-21-5-3-2-4-6-21)31(35)41-24-13-16-26-29(18-24)40-19-27(30(26)34)22-9-11-23(12-10-22)33(36)37/h2-16,18-19,28,32H,17H2,1H3/t28-/m1/s1