2-[2-[4-(2-methylpropyl)phenyl]butanoylamino]ethanesulfonic acid

Systemtic Name: 2-[2-[4-(2-methylpropyl)phenyl]butanoylamino]ethanesulfonic acid Openeye Name: 2-[2-(4-isobutylphenyl)butanoylamino]ethanesulfonic acid CAS Name: 2-[[2-[4-(2-methylpropyl)phenyl]-1-oxobutyl]amino]ethanesulfonic acid IUPAC Name: 2-[2-[4-(2-methylpropyl)phenyl]butanoylamino]ethanesulfonic acid Traditional Name: 2-[2-(4-isobutylphenyl)butanoylamino]ethanesulfonic acid Formula: C16H25NO4S MolecularWeight: 327.439

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)CC(C)C)C(=O)NCCS(=O)(=O)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)CC(C)C)C(=O)NCCS(=O)(=O)O

InChI

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