methyl N-(4-methylphenyl)sulfonylazepane-1-carboximidothioate

Systemtic Name: methyl N-(4-methylphenyl)sulfonylazepane-1-carboximidothioate Openeye Name: methyl N-(p-tolylsulfonyl)azepane-1-carboximidothioate CAS Name: N-(4-methylphenyl)sulfonyl-1-azepanecarboximidothioic acid methyl ester IUPAC Name: methyl N-(4-methylphenyl)sulfonylazepane-1-carboximidothioate Traditional Name: N-tosylazepane-1-carboximidothioic acid methyl ester Formula: C15H22N2O2S2 MolecularWeight: 326.47738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(N2CCCCCC2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C(N2CCCCCC2)SC

InChI

InChI=1S/C15H22N2O2S2/c1-13-7-9-14(10-8-13)21(18,19)16-15(20-2)17-11-5-3-4-6-12-17/h7-10H,3-6,11-12H2,1-2H3