[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate CAS Name: (2S)-2-(4-nitrophenyl)sulfonylpropanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-(4-nitrophenyl)sulfonylpropanoate Traditional Name: (2S)-2-nosylpropionic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C16H22N2O7S MolecularWeight: 386.42008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O7S/c1-4-12(5-2)17-15(19)10-25-16(20)11(3)26(23,24)14-8-6-13(7-9-14)18(21)22/h6-9,11-12H,4-5,10H2,1-3H3,(H,17,19)/t11-/m0/s1