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

Systemtic Name: [4-[[[(2R)-butan-2-yl]-(4-ethylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-ethylbenzoyl)-[(1R)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2R)-butan-2-yl]-[(4-ethylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2R)-butan-2-yl]-(4-ethylbenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-ethylbenzoyl)-[(1R)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)C(C)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)[C@H](C)CC

InChI

InChI=1S/C21H27NO4S/c1-5-16(3)22(21(23)19-11-7-17(6-2)8-12-19)15-18-9-13-20(14-10-18)26-27(4,24)25/h7-14,16H,5-6,15H2,1-4H3/t16-/m1/s1