[3-[[2-methylpropyl-(4-pentylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[2-methylpropyl-(4-pentylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[isobutyl-(4-pentylbenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-methylpropyl-[oxo-(4-pentylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl-(4-pentylbenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(4-amylbenzoyl)-isobutyl-amino]methyl]phenyl] ester Formula: C24H33NO4S MolecularWeight: 431.58812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC(C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC(C)C

InChI

InChI=1S/C24H33NO4S/c1-5-6-7-9-20-12-14-22(15-13-20)24(26)25(17-19(2)3)18-21-10-8-11-23(16-21)29-30(4,27)28/h8,10-16,19H,5-7,9,17-18H2,1-4H3