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

Systemtic Name: [4-[[(4-hexylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-hexylbenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-hexylphenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-hexylbenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-hexylbenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C24H33NO5S MolecularWeight: 447.58752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CCOC)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CCOC)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C24H33NO5S/c1-4-5-6-7-8-20-9-13-22(14-10-20)24(26)25(17-18-29-2)19-21-11-15-23(16-12-21)30-31(3,27)28/h9-16H,4-8,17-19H2,1-3H3