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

Systemtic Name: [4-[[(4-butylphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-butylbenzoyl)-isobutyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-butylphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-butylbenzoyl)-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-butylbenzoyl)-isobutyl-amino]methyl]phenyl] ester Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC(C)C

InChI

InChI=1S/C23H31NO4S/c1-5-6-7-19-8-12-21(13-9-19)23(25)24(16-18(2)3)17-20-10-14-22(15-11-20)28-29(4,26)27/h8-15,18H,5-7,16-17H2,1-4H3