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

Systemtic Name: 3-methyl-2-[[4-(4-nitrophenyl)phenyl]sulfonylamino]butanoic acid Openeye Name: 3-methyl-2-[[4-(4-nitrophenyl)phenyl]sulfonylamino]butanoic acid CAS Name: 3-methyl-2-[[4-(4-nitrophenyl)phenyl]sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[[4-(4-nitrophenyl)phenyl]sulfonylamino]butanoic acid Traditional Name: 3-methyl-2-[[4-(4-nitrophenyl)phenyl]sulfonylamino]butyric acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S/c1-11(2)16(17(20)21)18-26(24,25)15-9-5-13(6-10-15)12-3-7-14(8-4-12)19(22)23/h3-11,16,18H,1-2H3,(H,20,21)