4-[(4-nitrophenyl)methylsulfonylamino]butanoate

Systemtic Name: 4-[(4-nitrophenyl)methylsulfonylamino]butanoate Openeye Name: 4-[(4-nitrophenyl)methylsulfonylamino]butanoate CAS Name: 4-[(4-nitrophenyl)methylsulfonylamino]butanoate IUPAC Name: 4-[(4-nitrophenyl)methylsulfonylamino]butanoate Traditional Name: 4-[(4-nitrobenzyl)sulfonylamino]butyrate Formula: C11H13N2O6S- MolecularWeight: 301.29572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)NCCCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)NCCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O6S/c14-11(15)2-1-7-12-20(18,19)8-9-3-5-10(6-4-9)13(16)17/h3-6,12H,1-2,7-8H2,(H,14,15)/p-1