[2-[[4-(2-bromanylethanoylamino)phenyl]sulfonylamino]-2-oxidanylidene-ethyl]-trimethyl-azanium

Systemtic Name: [2-[[4-(2-bromanylethanoylamino)phenyl]sulfonylamino]-2-oxidanylidene-ethyl]-trimethyl-azanium Openeye Name: [2-[[4-[(2-bromoacetyl)amino]phenyl]sulfonylamino]-2-oxo-ethyl]-trimethyl-ammonium CAS Name: [2-[[4-[(2-bromo-1-oxoethyl)amino]phenyl]sulfonylamino]-2-oxoethyl]-trimethylammonium IUPAC Name: [2-[[4-[(2-bromoacetyl)amino]phenyl]sulfonylamino]-2-oxoethyl]-trimethylazanium Traditional Name: [2-[[4-[(2-bromoacetyl)amino]phenyl]sulfonylamino]-2-keto-ethyl]-trimethyl-ammonium Formula: C13H19BrN3O4S+ MolecularWeight: 393.27666

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CBr

Isomeric SMILES

C[N+](C)(C)CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CBr

InChI

InChI=1S/C13H18BrN3O4S/c1-17(2,3)9-13(19)16-22(20,21)11-6-4-10(5-7-11)15-12(18)8-14/h4-7H,8-9H2,1-3H3,(H-,15,16,18,19)/p+1