[3-[[[(2R)-butan-2-yl]-(4-butylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[[(2R)-butan-2-yl]-(4-butylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(4-butylbenzoyl)-[(1R)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(2R)-butan-2-yl]-[(4-butylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2R)-butan-2-yl]-(4-butylbenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(4-butylbenzoyl)-[(1R)-1-methylpropyl]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(=CC=C2)OS(=O)(=O)C)C(C)CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)[C@H](C)CC

InChI

InChI=1S/C23H31NO4S/c1-5-7-9-19-12-14-21(15-13-19)23(25)24(18(3)6-2)17-20-10-8-11-22(16-20)28-29(4,26)27/h8,10-16,18H,5-7,9,17H2,1-4H3/t18-/m1/s1