(4-bromophenyl)methyl-methyl-[(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]azanium

Systemtic Name: (4-bromophenyl)methyl-methyl-[(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]azanium Openeye Name: (4-bromophenyl)methyl-methyl-[(1R)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl]ammonium CAS Name: (4-bromophenyl)methyl-methyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]ammonium IUPAC Name: (4-bromophenyl)methyl-methyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]azanium Traditional Name: (4-bromobenzyl)-[(1R)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl]-methyl-ammonium Formula: C17H21BrN3O3S+ MolecularWeight: 427.33594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H20BrN3O3S/c1-12(21(2)11-13-3-5-14(18)6-4-13)17(22)20-15-7-9-16(10-8-15)25(19,23)24/h3-10,12H,11H2,1-2H3,(H,20,22)(H2,19,23,24)/p+1/t12-/m1/s1