[4-[[butyl-(4-tert-butylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

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

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=C(C=C2)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO4S/c1-6-7-16-24(17-18-8-14-21(15-9-18)28-29(5,26)27)22(25)19-10-12-20(13-11-19)23(2,3)4/h8-15H,6-7,16-17H2,1-5H3