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sodium 1-[ethyl-[3-methyl-2-(1-sulfonylethyl)phenyl]amino]ethanesulfonic acid

sodium 1-[ethyl-[3-methyl-2-(1-sulfonylethyl)phenyl]amino]ethanesulfonic acid

Systemtic Name:sodium 1-[ethyl-[3-methyl-2-(1-sulfonylethyl)phenyl]amino]ethanesulfonic acid
Openeye Name:sodium 1-[N-ethyl-3-methyl-2-(1-sulfonylethyl)anilino]ethanesulfonic acid
CAS Name:sodium 1-[N-ethyl-3-methyl-2-(1-sulfonylethyl)anilino]ethanesulfonic acid
IUPAC Name:sodium 1-[N-ethyl-3-methyl-2-(1-sulfonylethyl)anilino]ethanesulfonic acid
Traditional Name:sodium 1-[N-ethyl-3-methyl-2-(1-sulfonylethyl)anilino]ethanesulfonic acid
Formula: C13H18NNaO5S2
MolecularWeight: 355.40549
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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1C(=S(=O)=O)C)C)C([CH2-])S(=O)(=O)O.[Na+]


Isomeric SMILES

CCN(C1=CC=CC(=C1C(=S(=O)=O)C)C)C([CH2-])S(=O)(=O)O.[Na+]


InChI

InChI=1S/C13H18NO5S2.Na/c1-5-14(11(4)21(17,18)19)12-8-6-7-9(2)13(12)10(3)20(15)16;/h6-8,11H,4-5H2,1-3H3,(H,17,18,19);/q-1;+1


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