6-[methyl-(4-methylphenyl)carbonylsulfonyl-amino]hexanoic acid

Systemtic Name: 6-[methyl-(4-methylphenyl)carbonylsulfonyl-amino]hexanoic acid Openeye Name: 6-[methyl-(4-methylbenzoyl)sulfonyl-amino]hexanoic acid CAS Name: 6-[methyl-[(4-methylphenyl)-oxomethyl]sulfonylamino]hexanoic acid IUPAC Name: 6-[methyl-(4-methylbenzoyl)sulfonylamino]hexanoic acid Traditional Name: 6-[methyl(p-toluoylsulfonyl)amino]hexanoic acid Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5S/c1-12-7-9-13(10-8-12)15(19)22(20,21)16(2)11-5-3-4-6-14(17)18/h7-10H,3-6,11H2,1-2H3,(H,17,18)