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

Systemtic Name: (4-oxidanylidene-3-phenyl-chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-(4-nitrophenyl)propanoate Openeye Name: (4-oxo-3-phenyl-chromen-7-yl) 3-(4-nitrophenyl)-2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-(4-nitrophenyl)propanoic acid (4-oxo-3-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (4-oxo-3-phenylchromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-(4-nitrophenyl)propanoate Traditional Name: 3-(4-nitrophenyl)-2-(tosylamino)propionic acid (4-keto-3-phenyl-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=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC=CC=C5

InChI

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