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

Systemtic Name: [4-[[(4-tert-butylphenyl)carbonyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl-(4-tert-butylbenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-tert-butylphenyl)-oxomethyl]-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl-(4-tert-butylbenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl-(4-tert-butylbenzoyl)amino]methyl]phenyl] ester Formula: C26H29NO4S MolecularWeight: 451.57776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C26H29NO4S/c1-26(2,3)23-14-12-22(13-15-23)25(28)27(18-20-8-6-5-7-9-20)19-21-10-16-24(17-11-21)31-32(4,29)30/h5-17H,18-19H2,1-4H3