[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate CAS Name: 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C26H26N2O7S MolecularWeight: 510.55884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H26N2O7S/c1-17-8-11-20(26(2,3)4)15-24(17)36(33,34)27-21-12-9-18(10-13-21)25(30)35-16-23(29)19-6-5-7-22(14-19)28(31)32/h5-15,27H,16H2,1-4H3