1-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonyl-4-methylsulfonyl-1,4-diazepane

Systemtic Name: 1-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonyl-4-methylsulfonyl-1,4-diazepane Openeye Name: 1-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonyl-4-methylsulfonyl-1,4-diazepane CAS Name: 1-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-4-methylsulfonyl-1,4-diazepane IUPAC Name: 1-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-4-methylsulfonyl-1,4-diazepane Traditional Name: 1-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonyl-4-mesyl-1,4-diazepane Formula: C18H30N2O4S2 MolecularWeight: 402.5718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C)C)C(C)(C)C

InChI

InChI=1S/C18H30N2O4S2/c1-14-12-16(18(3,4)5)13-15(2)17(14)26(23,24)20-9-7-8-19(10-11-20)25(6,21)22/h12-13H,7-11H2,1-6H3