[3-[[2,2-bis(chloranyl)ethanoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2,2-bis(chloranyl)ethanoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(2,2-dichloroacetyl)-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(2,2-dichloro-1-oxoethyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2,2-dichloroacetyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(2,2-dichloroacetyl)-isopropyl-amino]methyl]phenyl] ester Formula: C14H19Cl2NO4S MolecularWeight: 368.27596

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)C(Cl)Cl

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)C(Cl)Cl

InChI

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