4-[4-(4-bromanylphenoxy)phenyl]sulfonyl-2,2-dimethyl-1-oxidanylidene-1,4-thiazinane-3-carboxylate

Systemtic Name: 4-[4-(4-bromanylphenoxy)phenyl]sulfonyl-2,2-dimethyl-1-oxidanylidene-1,4-thiazinane-3-carboxylate Openeye Name: 4-[4-(4-bromophenoxy)phenyl]sulfonyl-2,2-dimethyl-1-oxo-1,4-thiazinane-3-carboxylate CAS Name: 4-[4-(4-bromophenoxy)phenyl]sulfonyl-2,2-dimethyl-1-oxo-1,4-thiazinane-3-carboxylate IUPAC Name: 4-[4-(4-bromophenoxy)phenyl]sulfonyl-2,2-dimethyl-1-oxo-1,4-thiazinane-3-carboxylate Traditional Name: 4-[4-(4-bromophenoxy)phenyl]sulfonyl-1-keto-2,2-dimethyl-1,4-thiazinane-3-carboxylate Formula: C19H19BrNO6S2- MolecularWeight: 501.39126

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1=O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Br)C(=O)[O-])C

Isomeric SMILES

CC1(C(N(CCS1=O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Br)C(=O)[O-])C

InChI

InChI=1S/C19H20BrNO6S2/c1-19(2)17(18(22)23)21(11-12-28(19)24)29(25,26)16-9-7-15(8-10-16)27-14-5-3-13(20)4-6-14/h3-10,17H,11-12H2,1-2H3,(H,22,23)/p-1