[4-[[(4-tert-butylphenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-tert-butylphenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-tert-butylphenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-tert-butylphenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-tert-butylphenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-tert-butylphenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C21H29NO6S2 MolecularWeight: 455.58806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N(CCOC)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N(CCOC)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C21H29NO6S2/c1-21(2,3)18-8-12-20(13-9-18)30(25,26)22(14-15-27-4)16-17-6-10-19(11-7-17)28-29(5,23)24/h6-13H,14-16H2,1-5H3