2-azanyl-6-[(4-methylphenyl)sulfonylamino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 2-azanyl-6-[(4-methylphenyl)sulfonylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 2-amino-6-oxo-6-(p-tolylsulfonylamino)hexanoic acid CAS Name: 2-amino-6-[(4-methylphenyl)sulfonylamino]-6-oxohexanoic acid IUPAC Name: 2-amino-6-[(4-methylphenyl)sulfonylamino]-6-oxohexanoic acid Traditional Name: 2-amino-6-keto-6-(tosylamino)hexanoic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5S/c1-9-5-7-10(8-6-9)21(19,20)15-12(16)4-2-3-11(14)13(17)18/h5-8,11H,2-4,14H2,1H3,(H,15,16)(H,17,18)