2-[2-[(3-bromophenyl)-methylsulfonyl-amino]ethanoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[(3-bromophenyl)-methylsulfonyl-amino]ethanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(3-bromo-N-methylsulfonyl-anilino)acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(3-bromo-N-methylsulfonylanilino)-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(3-bromo-N-methylsulfonylanilino)acetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(3-bromo-N-mesyl-anilino)acetyl]amino]ethyl-dimethyl-ammonium Formula: C13H21BrN3O3S+ MolecularWeight: 379.29314

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)CN(C1=CC(=CC=C1)Br)S(=O)(=O)C

Isomeric SMILES

C[NH+](C)CCNC(=O)CN(C1=CC(=CC=C1)Br)S(=O)(=O)C

InChI

InChI=1S/C13H20BrN3O3S/c1-16(2)8-7-15-13(18)10-17(21(3,19)20)12-6-4-5-11(14)9-12/h4-6,9H,7-8,10H2,1-3H3,(H,15,18)/p+1