2-[[(2R)-3-[methyl-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]azaniumyl]ethanoate

Systemtic Name: 2-[[(2R)-3-[methyl-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]azaniumyl]ethanoate Openeye Name: 2-[[(2R)-2-hydroxy-3-[methyl(p-tolylsulfonyl)amino]propyl]ammonio]acetate CAS Name: 2-[[(2R)-2-hydroxy-3-[methyl-(4-methylphenyl)sulfonylamino]propyl]ammonio]acetate IUPAC Name: 2-[[(2R)-2-hydroxy-3-[methyl-(4-methylphenyl)sulfonylamino]propyl]azaniumyl]acetate Traditional Name: 2-[[(2R)-2-hydroxy-3-[methyl(tosyl)amino]propyl]ammonio]acetate Formula: C13H20N2O5S MolecularWeight: 316.3733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(C[NH2+]CC(=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@@H](C[NH2+]CC(=O)[O-])O

InChI

InChI=1S/C13H20N2O5S/c1-10-3-5-12(6-4-10)21(19,20)15(2)9-11(16)7-14-8-13(17)18/h3-6,11,14,16H,7-9H2,1-2H3,(H,17,18)/t11-/m1/s1