[4-[[butyl(2-phenylsulfanylethanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butyl(2-phenylsulfanylethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl-(2-phenylsulfanylacetyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-[1-oxo-2-(phenylthio)ethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl-(2-phenylsulfanylacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl-[2-(phenylthio)acetyl]amino]methyl]phenyl] ester Formula: C20H25NO4S2 MolecularWeight: 407.5468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)CSC2=CC=CC=C2

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C20H25NO4S2/c1-3-4-14-21(20(22)16-26-19-8-6-5-7-9-19)15-17-10-12-18(13-11-17)25-27(2,23)24/h5-13H,3-4,14-16H2,1-2H3