2-[(4-methyl-3-nitro-phenyl)sulfonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[(4-methyl-3-nitro-phenyl)sulfonylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]butanoic acid CAS Name: 3-hydroxy-2-[(4-methyl-3-nitrophenyl)sulfonylamino]butanoic acid IUPAC Name: 3-hydroxy-2-[(4-methyl-3-nitrophenyl)sulfonylamino]butanoic acid Traditional Name: 3-hydroxy-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]butyric acid Formula: C11H14N2O7S MolecularWeight: 318.30306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(C(C)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC(C(C)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O7S/c1-6-3-4-8(5-9(6)13(17)18)21(19,20)12-10(7(2)14)11(15)16/h3-5,7,10,12,14H,1-2H3,(H,15,16)