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

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoate Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoate CAS Name: 4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoic acid [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoic acid [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H25N3O7S MolecularWeight: 511.5469

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O7S/c1-4-18-6-10-20(11-7-18)26-24(29)17(3)35-25(30)19-8-12-21(13-9-19)27-36(33,34)22-14-5-16(2)23(15-22)28(31)32/h5-15,17,27H,4H2,1-3H3,(H,26,29)/t17-/m0/s1