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

Systemtic Name: N-(4-butoxyphenyl)sulfonyl-2,2-dimethyl-3H-1,2-thiazepin-2-ium-3-carboxamide Openeye Name: N-(4-butoxyphenyl)sulfonyl-2,2-dimethyl-3H-thiazepin-2-ium-3-carboxamide CAS Name: N-(4-butoxyphenyl)sulfonyl-2,2-dimethyl-3H-thiazepin-2-ium-3-carboxamide IUPAC Name: N-(4-butoxyphenyl)sulfonyl-2,2-dimethyl-3H-thiazepin-2-ium-3-carboxamide Traditional Name: N-(4-butoxyphenyl)sulfonyl-2,2-dimethyl-3H-thiazepin-2-ium-3-carboxamide Formula: C18H25N2O4S2+ MolecularWeight: 397.5321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2C=CC=CS[N+]2(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2C=CC=CS[N+]2(C)C

InChI

InChI=1S/C18H24N2O4S2/c1-4-5-13-24-15-9-11-16(12-10-15)26(22,23)19-18(21)17-8-6-7-14-25-20(17,2)3/h6-12,14,17H,4-5,13H2,1-3H3/p+1