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

Systemtic Name: (3S)-4-(4-bromophenyl)sulfonyl-2,2-dimethyl-N-oxidanyl-1,1-bis(oxidanylidene)-1,4-thiazepane-3-carboxamide Openeye Name: (3S)-4-(4-bromophenyl)sulfonyl-2,2-dimethyl-1,1-dioxo-1,4-thiazepane-3-carbohydroxamic acid CAS Name: (3S)-4-(4-bromophenyl)sulfonyl-N-hydroxy-2,2-dimethyl-1,1-dioxo-1,4-thiazepane-3-carboxamide IUPAC Name: (3S)-4-(4-bromophenyl)sulfonyl-N-hydroxy-2,2-dimethyl-1,1-dioxo-1,4-thiazepane-3-carboxamide Traditional Name: (3S)-4-brosyl-1,1-diketo-2,2-dimethyl-1,4-thiazepane-3-carbohydroxamic acid Formula: C14H19BrN2O6S2 MolecularWeight: 455.34446

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCCS1(=O)=O)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NO)C

Isomeric SMILES

CC1([C@@H](N(CCCS1(=O)=O)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NO)C

InChI

InChI=1S/C14H19BrN2O6S2/c1-14(2)12(13(18)16-19)17(8-3-9-24(14,20)21)25(22,23)11-6-4-10(15)5-7-11/h4-7,12,19H,3,8-9H2,1-2H3,(H,16,18)/t12-/m0/s1