2-[[1-(4-methoxy-3,5-dinitro-phenyl)sulfonylpyrrolidin-2-yl]carbonylamino]hexanoic acid

Systemtic Name: 2-[[1-(4-methoxy-3,5-dinitro-phenyl)sulfonylpyrrolidin-2-yl]carbonylamino]hexanoic acid Openeye Name: 2-[[1-(4-methoxy-3,5-dinitro-phenyl)sulfonylpyrrolidine-2-carbonyl]amino]hexanoic acid CAS Name: 2-[[[1-(4-methoxy-3,5-dinitrophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[[1-(4-methoxy-3,5-dinitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]hexanoic acid Traditional Name: 2-[[1-(4-methoxy-3,5-dinitro-phenyl)sulfonylprolyl]amino]hexanoic acid Formula: C18H24N4O10S MolecularWeight: 488.46896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C1CCCN1S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C1CCCN1S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])OC)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O10S/c1-3-4-6-12(18(24)25)19-17(23)13-7-5-8-20(13)33(30,31)11-9-14(21(26)27)16(32-2)15(10-11)22(28)29/h9-10,12-13H,3-8H2,1-2H3,(H,19,23)(H,24,25)