[4-[[(4-hexylphenyl)carbonyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-hexylphenyl)carbonyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-hexylbenzoyl)-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-hexylphenyl)-oxomethyl]-(3-methoxypropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-hexylbenzoyl)-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-hexylbenzoyl)-(3-methoxypropyl)amino]methyl]phenyl] ester Formula: C25H35NO5S MolecularWeight: 461.6141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO5S/c1-4-5-6-7-9-21-10-14-23(15-11-21)25(27)26(18-8-19-30-2)20-22-12-16-24(17-13-22)31-32(3,28)29/h10-17H,4-9,18-20H2,1-3H3