sodium 3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propane-1-sulfonate

Systemtic Name: sodium 3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propane-1-sulfonate Openeye Name: sodium 3-[2-(4-isobutylphenyl)propanoylamino]propane-1-sulfonate CAS Name: sodium 3-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]-1-propanesulfonate IUPAC Name: sodium 3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propane-1-sulfonate Traditional Name: sodium 3-[2-(4-isobutylphenyl)propanoylamino]propane-1-sulfonate Formula: C16H24NNaO4S MolecularWeight: 349.42083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)NCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)NCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H25NO4S.Na/c1-12(2)11-14-5-7-15(8-6-14)13(3)16(18)17-9-4-10-22(19,20)21;/h5-8,12-13H,4,9-11H2,1-3H3,(H,17,18)(H,19,20,21);/q;+1/p-1