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

Systemtic Name: (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-N-oxidanyl-1,1-bis(oxidanylidene)-3H-1,2-thiazepin-2-ium-3-carboxamide Openeye Name: (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,1-dioxo-3H-thiazepin-2-ium-3-carbohydroxamic acid CAS Name: (3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,1-dioxo-3H-thiazepin-2-ium-3-carboxamide IUPAC Name: (3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,1-dioxo-3H-thiazepin-2-ium-3-carboxamide Traditional Name: (3S)-1,1-diketo-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-3H-thiazepin-2-ium-3-carbohydroxamic acid Formula: C15H19N2O7S2+ MolecularWeight: 403.45056

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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)OC)C(=O)NO)C

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O7S2/c1-17(2)14(15(18)16-19)13(5-4-10-25(17,20)21)26(22,23)12-8-6-11(24-3)7-9-12/h4-10,14H,1-3H3,(H-,16,18,19)/p+1/t14-/m1/s1