[3-[[2,2-bis(chloranyl)ethanoyl-butan-2-yl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[2,2-bis(chloranyl)ethanoyl-butan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(2,2-dichloroacetyl)-sec-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[butan-2-yl-(2,2-dichloro-1-oxoethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(2,2-dichloroacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(2,2-dichloroacetyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C14H19Cl2NO4S MolecularWeight: 368.27596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C(Cl)Cl

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C(Cl)Cl

InChI

InChI=1S/C14H19Cl2NO4S/c1-4-10(2)17(14(18)13(15)16)9-11-6-5-7-12(8-11)21-22(3,19)20/h5-8,10,13H,4,9H2,1-3H3