[4-[[(4-hexylphenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-hexylphenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-hexylbenzoyl)-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-hexylphenyl)-oxomethyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-hexylbenzoyl)-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-hexylbenzoyl)-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C26H35NO5S MolecularWeight: 473.6248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C26H35NO5S/c1-3-4-5-6-8-21-10-14-23(15-11-21)26(28)27(20-25-9-7-18-31-25)19-22-12-16-24(17-13-22)32-33(2,29)30/h10-17,25H,3-9,18-20H2,1-2H3