N-(4-bromophenyl)sulfonyl-2,2-dimethyl-3H-1,2-thiazepin-2-ium-3-carboxamide

Systemtic Name: N-(4-bromophenyl)sulfonyl-2,2-dimethyl-3H-1,2-thiazepin-2-ium-3-carboxamide Openeye Name: N-(4-bromophenyl)sulfonyl-2,2-dimethyl-3H-thiazepin-2-ium-3-carboxamide CAS Name: N-(4-bromophenyl)sulfonyl-2,2-dimethyl-3H-thiazepin-2-ium-3-carboxamide IUPAC Name: N-(4-bromophenyl)sulfonyl-2,2-dimethyl-3H-thiazepin-2-ium-3-carboxamide Traditional Name: N-brosyl-2,2-dimethyl-3H-thiazepin-2-ium-3-carboxamide Formula: C14H16BrN2O3S2+ MolecularWeight: 404.32244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(C=CC=CS1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

C[N+]1(C(C=CC=CS1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C14H15BrN2O3S2/c1-17(2)13(5-3-4-10-21-17)14(18)16-22(19,20)12-8-6-11(15)7-9-12/h3-10,13H,1-2H3/p+1