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

Systemtic Name: sodium [(1-phenylpropan-2-ylamino)-(sulfomethyl)amino]methanesulfonic acid Openeye Name: sodium [[(1-methyl-2-phenyl-ethyl)amino]-(sulfomethyl)amino]methanesulfonic acid CAS Name: sodium [(1-phenylpropan-2-ylamino)-(sulfomethyl)amino]methanesulfonic acid IUPAC Name: sodium [(1-phenylpropan-2-ylamino)-(sulfomethyl)amino]methanesulfonic acid Traditional Name: sodium [[(1-methyl-2-phenyl-ethyl)amino]-(sulfomethyl)amino]methanesulfonic acid Formula: C11H18N2NaO6S2+ MolecularWeight: 361.39019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NN(CS(=O)(=O)O)CS(=O)(=O)O.[Na+]

Isomeric SMILES

CC(CC1=CC=CC=C1)NN(CS(=O)(=O)O)CS(=O)(=O)O.[Na+]

InChI

InChI=1S/C11H18N2O6S2.Na/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);/q;+1