[4-[[[(2R)-butan-2-yl]-(butylcarbamoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[[(2R)-butan-2-yl]-(butylcarbamoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butylcarbamoyl-[(1R)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2R)-butan-2-yl]-[butylamino(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2R)-butan-2-yl]-(butylcarbamoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butylcarbamoyl-[(1R)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C17H28N2O4S MolecularWeight: 356.48022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(C)CC

Isomeric SMILES

CCCCNC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C)[C@H](C)CC

InChI

InChI=1S/C17H28N2O4S/c1-5-7-12-18-17(20)19(14(3)6-2)13-15-8-10-16(11-9-15)23-24(4,21)22/h8-11,14H,5-7,12-13H2,1-4H3,(H,18,20)/t14-/m1/s1