[5-[[(4-hexylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[(4-hexylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(4-hexylbenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(4-hexylphenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-hexylbenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(4-hexylbenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H35NO6S MolecularWeight: 477.6135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO6S/c1-5-6-7-8-9-20-10-13-22(14-11-20)25(27)26(16-17-30-2)19-21-12-15-23(31-3)24(18-21)32-33(4,28)29/h10-15,18H,5-9,16-17,19H2,1-4H3