3-[[3-nitro-4-[[(2R)-2-oxidanylpropyl]amino]phenyl]sulfonylamino]propanoate

Systemtic Name: 3-[[3-nitro-4-[[(2R)-2-oxidanylpropyl]amino]phenyl]sulfonylamino]propanoate Openeye Name: 3-[[4-[[(2R)-2-hydroxypropyl]amino]-3-nitro-phenyl]sulfonylamino]propanoate CAS Name: 3-[[4-[[(2R)-2-hydroxypropyl]amino]-3-nitrophenyl]sulfonylamino]propanoate IUPAC Name: 3-[[4-[[(2R)-2-hydroxypropyl]amino]-3-nitrophenyl]sulfonylamino]propanoate Traditional Name: 3-[[4-[[(2R)-2-hydroxypropyl]amino]-3-nitro-phenyl]sulfonylamino]propionate Formula: C12H16N3O7S- MolecularWeight: 346.33634

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C12H17N3O7S/c1-8(16)7-13-10-3-2-9(6-11(10)15(19)20)23(21,22)14-5-4-12(17)18/h2-3,6,8,13-14,16H,4-5,7H2,1H3,(H,17,18)/p-1/t8-/m1/s1