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

Systemtic Name: [3-[[butan-2-yl(2-phenylsulfanylethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(2-phenylsulfanylacetyl)-sec-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[butan-2-yl-[1-oxo-2-(phenylthio)ethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(2-phenylsulfanylacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[[2-(phenylthio)acetyl]-sec-butyl-amino]methyl]phenyl] ester Formula: C20H25NO4S2 MolecularWeight: 407.5468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)CSC2=CC=CC=C2

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)CSC2=CC=CC=C2

InChI

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