3-[(4-nitrophenyl)methylsulfonylamino]butanoic acid

Systemtic Name: 3-[(4-nitrophenyl)methylsulfonylamino]butanoic acid Openeye Name: 3-[(4-nitrophenyl)methylsulfonylamino]butanoic acid CAS Name: 3-[(4-nitrophenyl)methylsulfonylamino]butanoic acid IUPAC Name: 3-[(4-nitrophenyl)methylsulfonylamino]butanoic acid Traditional Name: 3-[(4-nitrobenzyl)sulfonylamino]butyric acid Formula: C11H14N2O6S MolecularWeight: 302.30366

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NS(=O)(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)O)NS(=O)(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O6S/c1-8(6-11(14)15)12-20(18,19)7-9-2-4-10(5-3-9)13(16)17/h2-5,8,12H,6-7H2,1H3,(H,14,15)