3-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azaniumyl]propane-1-sulfonate Openeye Name: 3-[[2-(2-bromoanilino)-2-oxo-ethyl]-methyl-ammonio]propane-1-sulfonate CAS Name: 3-[[2-(2-bromoanilino)-2-oxoethyl]-methylammonio]-1-propanesulfonate IUPAC Name: 3-[[2-(2-bromoanilino)-2-oxoethyl]-methylazaniumyl]propane-1-sulfonate Traditional Name: 3-[[2-(2-bromoanilino)-2-keto-ethyl]-methyl-ammonio]propane-1-sulfonate Formula: C12H17BrN2O4S MolecularWeight: 365.24338

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCS(=O)(=O)[O-])CC(=O)NC1=CC=CC=C1Br

Isomeric SMILES

C[NH+](CCCS(=O)(=O)[O-])CC(=O)NC1=CC=CC=C1Br

InChI

InChI=1S/C12H17BrN2O4S/c1-15(7-4-8-20(17,18)19)9-12(16)14-11-6-3-2-5-10(11)13/h2-3,5-6H,4,7-9H2,1H3,(H,14,16)(H,17,18,19)