1-(azepan-1-yl)-2-(5-tert-butyl-2-methyl-phenyl)sulfonyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(5-tert-butyl-2-methyl-phenyl)sulfonyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(5-tert-butyl-2-methyl-phenyl)sulfonyl-ethanone CAS Name: 1-(1-azepanyl)-2-(5-tert-butyl-2-methylphenyl)sulfonylethanone IUPAC Name: 1-(azepan-1-yl)-2-(5-tert-butyl-2-methylphenyl)sulfonylethanone Traditional Name: 1-(azepan-1-yl)-2-(5-tert-butyl-2-methyl-phenyl)sulfonyl-ethanone Formula: C19H29NO3S MolecularWeight: 351.50346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO3S/c1-15-9-10-16(19(2,3)4)13-17(15)24(22,23)14-18(21)20-11-7-5-6-8-12-20/h9-10,13H,5-8,11-12,14H2,1-4H3