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

Systemtic Name: [4-[[butyl-(2-methylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl-(2-methylbenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-[(2-methylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl-(2-methylbenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl(o-toluoyl)amino]methyl]phenyl] ester Formula: C20H25NO4S MolecularWeight: 375.4818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC=CC=C2C

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC=CC=C2C

InChI

InChI=1S/C20H25NO4S/c1-4-5-14-21(20(22)19-9-7-6-8-16(19)2)15-17-10-12-18(13-11-17)25-26(3,23)24/h6-13H,4-5,14-15H2,1-3H3