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

Systemtic Name: 2,2-dimethyl-N-(4-phenoxyphenyl)sulfonyl-3H-1,2-thiazepin-2-ium-3-carboxamide Openeye Name: 2,2-dimethyl-N-(4-phenoxyphenyl)sulfonyl-3H-thiazepin-2-ium-3-carboxamide CAS Name: 2,2-dimethyl-N-(4-phenoxyphenyl)sulfonyl-3H-thiazepin-2-ium-3-carboxamide IUPAC Name: 2,2-dimethyl-N-(4-phenoxyphenyl)sulfonyl-3H-thiazepin-2-ium-3-carboxamide Traditional Name: 2,2-dimethyl-N-(4-phenoxyphenyl)sulfonyl-3H-thiazepin-2-ium-3-carboxamide Formula: C20H21N2O4S2+ MolecularWeight: 417.52174

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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)OC3=CC=CC=C3)C

Isomeric SMILES

C[N+]1(C(C=CC=CS1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C20H20N2O4S2/c1-22(2)19(10-6-7-15-27-22)20(23)21-28(24,25)18-13-11-17(12-14-18)26-16-8-4-3-5-9-16/h3-15,19H,1-2H3/p+1