[(1-phenylpropan-2-ylamino)-(sulfomethyl)amino]methanesulfonic acid

Systemtic Name: [(1-phenylpropan-2-ylamino)-(sulfomethyl)amino]methanesulfonic acid Openeye Name: [[(1-methyl-2-phenyl-ethyl)amino]-(sulfomethyl)amino]methanesulfonic acid CAS Name: [(1-phenylpropan-2-ylamino)-(sulfomethyl)amino]methanesulfonic acid IUPAC Name: [(1-phenylpropan-2-ylamino)-(sulfomethyl)amino]methanesulfonic acid Traditional Name: [[(1-methyl-2-phenyl-ethyl)amino]-(sulfomethyl)amino]methanesulfonic acid Formula: C11H18N2O6S2 MolecularWeight: 338.40042

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NN(CS(=O)(=O)O)CS(=O)(=O)O

Isomeric SMILES

CC(CC1=CC=CC=C1)NN(CS(=O)(=O)O)CS(=O)(=O)O

InChI

InChI=1S/C11H18N2O6S2/c1-10(7-11-5-3-2-4-6-11)12-13(8-20(14,15)16)9-21(17,18)19/h2-6,10,12H,7-9H2,1H3,(H,14,15,16)(H,17,18,19)