sodium 2-[methyl-[(3-oxidanyl-2-pentan-2-yl-phenyl)methyl]amino]ethanesulfonate

Systemtic Name: sodium 2-[methyl-[(3-oxidanyl-2-pentan-2-yl-phenyl)methyl]amino]ethanesulfonate Openeye Name: sodium 2-[[3-hydroxy-2-(1-methylbutyl)phenyl]methyl-methyl-amino]ethanesulfonate CAS Name: sodium 2-[(3-hydroxy-2-pentan-2-ylphenyl)methyl-methylamino]ethanesulfonate IUPAC Name: sodium 2-[(3-hydroxy-2-pentan-2-ylphenyl)methyl-methylamino]ethanesulfonate Traditional Name: sodium 2-[[3-hydroxy-2-(1-methylbutyl)benzyl]-methyl-amino]ethanesulfonate Formula: C15H24NNaO4S MolecularWeight: 337.41013

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=C(C=CC=C1O)CN(C)CCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCC(C)C1=C(C=CC=C1O)CN(C)CCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H25NO4S.Na/c1-4-6-12(2)15-13(7-5-8-14(15)17)11-16(3)9-10-21(18,19)20;/h5,7-8,12,17H,4,6,9-11H2,1-3H3,(H,18,19,20);/q;+1/p-1