[4-[[butan-2-yl(ethanoyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[butan-2-yl(ethanoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[acetyl(sec-butyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[acetyl(butan-2-yl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[acetyl(sec-butyl)amino]methyl]phenyl] ester Formula: C16H25NO4S MolecularWeight: 327.439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C(C)C)C(=O)C

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C(C)C)C(=O)C

InChI

InChI=1S/C16H25NO4S/c1-6-13(4)17(14(5)18)11-15-7-9-16(10-8-15)21-22(19,20)12(2)3/h7-10,12-13H,6,11H2,1-5H3