4-[methyl-[(4-nitrophenyl)methylsulfonyl]amino]butanoic acid

Systemtic Name: 4-[methyl-[(4-nitrophenyl)methylsulfonyl]amino]butanoic acid Openeye Name: 4-[methyl-[(4-nitrophenyl)methylsulfonyl]amino]butanoic acid CAS Name: 4-[methyl-[(4-nitrophenyl)methylsulfonyl]amino]butanoic acid IUPAC Name: 4-[methyl-[(4-nitrophenyl)methylsulfonyl]amino]butanoic acid Traditional Name: 4-[methyl-(4-nitrobenzyl)sulfonyl-amino]butyric acid Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)S(=O)(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC(=O)O)S(=O)(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O6S/c1-13(8-2-3-12(15)16)21(19,20)9-10-4-6-11(7-5-10)14(17)18/h4-7H,2-3,8-9H2,1H3,(H,15,16)