[3-[[(4-butylphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(4-butylphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(4-butylbenzoyl)-isobutyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(4-butylphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-butylbenzoyl)-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(4-butylbenzoyl)-isobutyl-amino]methyl]phenyl] ester Formula: C23H31NO4S MolecularWeight: 417.56154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC(C)C

InChI

InChI=1S/C23H31NO4S/c1-5-6-8-19-11-13-21(14-12-19)23(25)24(16-18(2)3)17-20-9-7-10-22(15-20)28-29(4,26)27/h7,9-15,18H,5-6,8,16-17H2,1-4H3