2-(methylamino)-5-[(4-methylphenyl)sulfonylamino]pentanoic acid

Systemtic Name: 2-(methylamino)-5-[(4-methylphenyl)sulfonylamino]pentanoic acid Openeye Name: 2-(methylamino)-5-(p-tolylsulfonylamino)pentanoic acid CAS Name: 2-(methylamino)-5-[(4-methylphenyl)sulfonylamino]pentanoic acid IUPAC Name: 2-(methylamino)-5-[(4-methylphenyl)sulfonylamino]pentanoic acid Traditional Name: 2-(methylamino)-5-(tosylamino)valeric acid Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCC(C(=O)O)NC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCC(C(=O)O)NC

InChI

InChI=1S/C13H20N2O4S/c1-10-5-7-11(8-6-10)20(18,19)15-9-3-4-12(14-2)13(16)17/h5-8,12,14-15H,3-4,9H2,1-2H3,(H,16,17)