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

Systemtic Name: [4-[[(4-tert-butylphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-tert-butylphenyl)sulfonyl-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-tert-butylphenyl)sulfonyl-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-tert-butylphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-tert-butylphenyl)sulfonyl-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C23H31NO6S2 MolecularWeight: 481.62534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C23H31NO6S2/c1-23(2,3)19-9-13-22(14-10-19)32(27,28)24(17-21-6-5-15-29-21)16-18-7-11-20(12-8-18)30-31(4,25)26/h7-14,21H,5-6,15-17H2,1-4H3