[5-(2-azanyl-1-chloranyl-ethyl)-2-(dimethylsulfamoyloxy)phenyl] 2-methylpropanoate

Systemtic Name: [5-(2-azanyl-1-chloranyl-ethyl)-2-(dimethylsulfamoyloxy)phenyl] 2-methylpropanoate Openeye Name: [5-(2-amino-1-chloro-ethyl)-2-(dimethylsulfamoyloxy)phenyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [5-(2-amino-1-chloroethyl)-2-(dimethylsulfamoyloxy)phenyl] ester IUPAC Name: [5-(2-amino-1-chloroethyl)-2-(dimethylsulfamoyloxy)phenyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [5-(2-amino-1-chloro-ethyl)-2-(dimethylsulfamoyloxy)phenyl] ester Formula: C14H21ClN2O5S MolecularWeight: 364.84494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=C(C=CC(=C1)C(CN)Cl)OS(=O)(=O)N(C)C

Isomeric SMILES

CC(C)C(=O)OC1=C(C=CC(=C1)C(CN)Cl)OS(=O)(=O)N(C)C

InChI

InChI=1S/C14H21ClN2O5S/c1-9(2)14(18)21-13-7-10(11(15)8-16)5-6-12(13)22-23(19,20)17(3)4/h5-7,9,11H,8,16H2,1-4H3