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

Systemtic Name: N-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-3H-1,2-thiazepin-2-ium-3-carboxamide Openeye Name: N-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-3H-thiazepin-2-ium-3-carboxamide CAS Name: N-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-3H-thiazepin-2-ium-3-carboxamide IUPAC Name: N-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-3H-thiazepin-2-ium-3-carboxamide Traditional Name: N-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-3H-thiazepin-2-ium-3-carboxamide Formula: C15H19N2O4S2+ MolecularWeight: 355.45236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4S2/c1-17(2)14(6-4-5-11-22-17)15(18)16-23(19,20)13-9-7-12(21-3)8-10-13/h4-11,14H,1-3H3/p+1