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

Systemtic Name: [4-[[(4-hexylphenyl)carbonyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl-(4-hexylbenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-hexylphenyl)-oxomethyl]-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl-(4-hexylbenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl-(4-hexylbenzoyl)amino]methyl]phenyl] ester Formula: C28H33NO4S MolecularWeight: 479.63092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C28H33NO4S/c1-3-4-5-7-10-23-13-17-26(18-14-23)28(30)29(21-24-11-8-6-9-12-24)22-25-15-19-27(20-16-25)33-34(2,31)32/h6,8-9,11-20H,3-5,7,10,21-22H2,1-2H3