[3-[[2-methylpropyl(2-phenylbutanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2-methylpropyl(2-phenylbutanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isobutyl(2-phenylbutanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methylpropyl-(1-oxo-2-phenylbutyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl(2-phenylbutanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isobutyl(2-phenylbutanoyl)amino]methyl]phenyl] ester Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO4S/c1-5-22(20-12-8-7-9-13-20)23(25)24(16-18(3)4)17-19-11-10-14-21(15-19)28-29(26,27)6-2/h7-15,18,22H,5-6,16-17H2,1-4H3