[1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: [1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: [2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O7S/c1-14(21(27)15-6-8-16(9-7-15)22(2,3)4)32-20(26)13-24-33(30,31)17-10-11-18(23-5)19(12-17)25(28)29/h6-12,14,23-24H,13H2,1-5H3