[1-(4-nitrophenyl)-2-oxidanylidene-2-phenyl-ethyl] 2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]ethanoate

Systemtic Name: [1-(4-nitrophenyl)-2-oxidanylidene-2-phenyl-ethyl] 2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]ethanoate Openeye Name: [1-(4-nitrophenyl)-2-oxo-2-phenyl-ethyl] 2-[[2-(p-tolylsulfonylamino)acetyl]amino]acetate CAS Name: 2-[[2-[(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]acetic acid [1-(4-nitrophenyl)-2-oxo-2-phenylethyl] ester IUPAC Name: [1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate Traditional Name: 2-[[2-(tosylamino)acetyl]amino]acetic acid [2-keto-1-(4-nitrophenyl)-2-phenyl-ethyl] ester Formula: C25H23N3O8S MolecularWeight: 525.53042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OC(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OC(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H23N3O8S/c1-17-7-13-21(14-8-17)37(34,35)27-15-22(29)26-16-23(30)36-25(24(31)18-5-3-2-4-6-18)19-9-11-20(12-10-19)28(32)33/h2-14,25,27H,15-16H2,1H3,(H,26,29)