1-methylsulfonyl-4-(4-methylsulfonylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-methylsulfonyl-4-(4-methylsulfonylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-methylsulfonyl-4-(4-methylsulfonylphenyl)sulfonyl-1,4-diazepane CAS Name: 1-methylsulfonyl-4-(4-methylsulfonylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-methylsulfonyl-4-(4-methylsulfonylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-mesyl-4-(4-mesylphenyl)sulfonyl-1,4-diazepane Formula: C13H20N2O6S3 MolecularWeight: 396.5027

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C13H20N2O6S3/c1-22(16,17)12-4-6-13(7-5-12)24(20,21)15-9-3-8-14(10-11-15)23(2,18)19/h4-7H,3,8-11H2,1-2H3