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

Systemtic Name: (3S)-4-(4-bromophenyl)sulfonyl-2,2-dimethyl-N-oxidanyl-1,1-bis(oxidanylidene)-3H-1,2-thiazepin-2-ium-3-carboxamide Openeye Name: (3S)-4-(4-bromophenyl)sulfonyl-2,2-dimethyl-1,1-dioxo-3H-thiazepin-2-ium-3-carbohydroxamic acid CAS Name: (3S)-4-(4-bromophenyl)sulfonyl-N-hydroxy-2,2-dimethyl-1,1-dioxo-3H-thiazepin-2-ium-3-carboxamide IUPAC Name: (3S)-4-(4-bromophenyl)sulfonyl-N-hydroxy-2,2-dimethyl-1,1-dioxo-3H-thiazepin-2-ium-3-carboxamide Traditional Name: (3S)-4-brosyl-1,1-diketo-2,2-dimethyl-3H-thiazepin-2-ium-3-carbohydroxamic acid Formula: C14H16BrN2O6S2+ MolecularWeight: 452.32064

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(C(=CC=CS1(=O)=O)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NO)C

Isomeric SMILES

C[N+]1([C@H](C(=CC=CS1(=O)=O)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NO)C

InChI

InChI=1S/C14H15BrN2O6S2/c1-17(2)13(14(18)16-19)12(4-3-9-24(17,20)21)25(22,23)11-7-5-10(15)6-8-11/h3-9,13H,1-2H3,(H-,16,18,19)/p+1/t13-/m1/s1