[4-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[3-phenylpropanoyl(sec-butyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butan-2-yl-(1-oxo-3-phenylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[hydrocinnamoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO4S/c1-4-17(2)22(21(23)15-12-18-8-6-5-7-9-18)16-19-10-13-20(14-11-19)26-27(3,24)25/h5-11,13-14,17H,4,12,15-16H2,1-3H3