5-[methyl-(4-methylphenyl)sulfonyl-amino]pentanoic acid

Systemtic Name: 5-[methyl-(4-methylphenyl)sulfonyl-amino]pentanoic acid Openeye Name: 5-[methyl(p-tolylsulfonyl)amino]pentanoic acid CAS Name: 5-[methyl-(4-methylphenyl)sulfonylamino]pentanoic acid IUPAC Name: 5-[methyl-(4-methylphenyl)sulfonylamino]pentanoic acid Traditional Name: 5-[methyl(tosyl)amino]valeric 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(C)CCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4S/c1-11-6-8-12(9-7-11)19(17,18)14(2)10-4-3-5-13(15)16/h6-9H,3-5,10H2,1-2H3,(H,15,16)