4-[methyl-(4-methylsulfonylphenyl)sulfonyl-amino]butanoic acid

Systemtic Name: 4-[methyl-(4-methylsulfonylphenyl)sulfonyl-amino]butanoic acid Openeye Name: 4-[methyl-(4-methylsulfonylphenyl)sulfonyl-amino]butanoic acid CAS Name: 4-[methyl-(4-methylsulfonylphenyl)sulfonylamino]butanoic acid IUPAC Name: 4-[methyl-(4-methylsulfonylphenyl)sulfonylamino]butanoic acid Traditional Name: 4-[(4-mesylphenyl)sulfonyl-methyl-amino]butyric acid Formula: C12H17NO6S2 MolecularWeight: 335.39648

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

CN(CCCC(=O)O)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C12H17NO6S2/c1-13(9-3-4-12(14)15)21(18,19)11-7-5-10(6-8-11)20(2,16)17/h5-8H,3-4,9H2,1-2H3,(H,14,15)