3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propane-1-sulfonic acid

Systemtic Name: 3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propane-1-sulfonic acid Openeye Name: 3-[2-(4-isobutylphenyl)propanoylamino]propane-1-sulfonic acid CAS Name: 3-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propane-1-sulfonic acid Traditional Name: 3-[2-(4-isobutylphenyl)propanoylamino]propane-1-sulfonic acid Formula: C16H25NO4S MolecularWeight: 327.439

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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

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)NCCCS(=O)(=O)O

InChI

InChI=1S/C16H25NO4S/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)