2-[butyl-(4-methylphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[butyl-(4-methylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[butyl(p-tolylsulfonyl)amino]acetic acid CAS Name: 2-[butyl-(4-methylphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[butyl-(4-methylphenyl)sulfonylamino]acetic acid Traditional Name: 2-[butyl(tosyl)amino]acetic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCN(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C13H19NO4S/c1-3-4-9-14(10-13(15)16)19(17,18)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)