2-[methyl-(4-propylphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[methyl-(4-propylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[methyl-(4-propylphenyl)sulfonyl-amino]acetic acid CAS Name: 2-[methyl-(4-propylphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[methyl-(4-propylphenyl)sulfonylamino]acetic acid Traditional Name: 2-[methyl-(4-propylphenyl)sulfonyl-amino]acetic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)O

InChI

InChI=1S/C12H17NO4S/c1-3-4-10-5-7-11(8-6-10)18(16,17)13(2)9-12(14)15/h5-8H,3-4,9H2,1-2H3,(H,14,15)