[1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoate

Systemtic Name: [1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoate Openeye Name: [2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl] 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoate CAS Name: 4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoic acid [1-(4-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoic acid [2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C27H29N3O7S MolecularWeight: 539.60006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H29N3O7S/c1-17-6-15-23(16-24(17)30(33)34)38(35,36)29-22-11-7-19(8-12-22)26(32)37-18(2)25(31)28-21-13-9-20(10-14-21)27(3,4)5/h6-16,18,29H,1-5H3,(H,28,31)