4-(4-methylphenyl)sulfonylsulfonyl-1,4-thiazepane

Systemtic Name: 4-(4-methylphenyl)sulfonylsulfonyl-1,4-thiazepane Openeye Name: 4-(p-tolylsulfonylsulfonyl)-1,4-thiazepane CAS Name: 4-(4-methylphenyl)sulfonylsulfonyl-1,4-thiazepane IUPAC Name: 4-(4-methylphenyl)sulfonylsulfonyl-1,4-thiazepane Traditional Name: 4-tosylsulfonyl-1,4-thiazepane Formula: C12H17NO4S3 MolecularWeight: 335.46268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)S(=O)(=O)N2CCCSCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)S(=O)(=O)N2CCCSCC2

InChI

InChI=1S/C12H17NO4S3/c1-11-3-5-12(6-4-11)19(14,15)20(16,17)13-7-2-9-18-10-8-13/h3-6H,2,7-10H2,1H3