[4-[[butyl(2-chloranylethanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butyl(2-chloranylethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl-(2-chloroacetyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-(2-chloro-1-oxoethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl-(2-chloroacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl-(2-chloroacetyl)amino]methyl]phenyl] ester Formula: C14H20ClNO4S MolecularWeight: 333.8309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)CCl

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)CCl

InChI

InChI=1S/C14H20ClNO4S/c1-3-4-9-16(14(17)10-15)11-12-5-7-13(8-6-12)20-21(2,18)19/h5-8H,3-4,9-11H2,1-2H3