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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

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