1-(5-tert-butyl-2-methyl-phenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(5-tert-butyl-2-methyl-phenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(5-tert-butyl-2-methyl-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-(5-tert-butyl-2-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(5-tert-butyl-2-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(5-tert-butyl-2-methyl-phenyl)sulfonyl-1,4-diazepane Formula: C16H26N2O2S MolecularWeight: 310.45484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)N2CCCNCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)N2CCCNCC2

InChI

InChI=1S/C16H26N2O2S/c1-13-6-7-14(16(2,3)4)12-15(13)21(19,20)18-10-5-8-17-9-11-18/h6-7,12,17H,5,8-11H2,1-4H3