[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-[[(1R)-1-methylpropyl]-[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-keto-2-[[(1R)-1-methylpropyl]-[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C)CC)C(=O)COC(=O)C1=CC(=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC[C@@H](C)N([C@@H](C)CC)C(=O)COC(=O)C1=CC(=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H26N2O7S/c1-6-12(3)19(13(4)7-2)17(21)11-27-18(22)14-8-9-16(28(5,25)26)15(10-14)20(23)24/h8-10,12-13H,6-7,11H2,1-5H3/t12-,13+