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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)CC(=O)O

InChI

InChI=1S/C13H19NO4S/c1-10(2)8-14(9-13(15)16)19(17,18)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,15,16)