(4-methoxyphenyl)sulfonyl 2,2-dimethyl-3H-1,2-thiazepin-2-ium-3-carboxylate

Systemtic Name: (4-methoxyphenyl)sulfonyl 2,2-dimethyl-3H-1,2-thiazepin-2-ium-3-carboxylate Openeye Name: (4-methoxyphenyl)sulfonyl 2,2-dimethyl-3H-thiazepin-2-ium-3-carboxylate CAS Name: 2,2-dimethyl-3H-thiazepin-2-ium-3-carboxylic acid (4-methoxyphenyl)sulfonyl ester IUPAC Name: (4-methoxyphenyl)sulfonyl 2,2-dimethyl-3H-thiazepin-2-ium-3-carboxylate Traditional Name: 2,2-dimethyl-3H-thiazepin-2-ium-3-carboxylic acid (4-methoxyphenyl)sulfonyl ester Formula: C15H18NO5S2+ MolecularWeight: 356.43712

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(C=CC=CS1)C(=O)OS(=O)(=O)C2=CC=C(C=C2)OC)C

Isomeric SMILES

C[N+]1(C(C=CC=CS1)C(=O)OS(=O)(=O)C2=CC=C(C=C2)OC)C

InChI

InChI=1S/C15H18NO5S2/c1-16(2)14(6-4-5-11-22-16)15(17)21-23(18,19)13-9-7-12(20-3)8-10-13/h4-11,14H,1-3H3/q+1