1-[4-(2-methylpropyl)phenyl]sulfonylazepane

Systemtic Name: 1-[4-(2-methylpropyl)phenyl]sulfonylazepane Openeye Name: 1-(4-isobutylphenyl)sulfonylazepane CAS Name: 1-[4-(2-methylpropyl)phenyl]sulfonylazepane IUPAC Name: 1-[4-(2-methylpropyl)phenyl]sulfonylazepane Traditional Name: 1-(4-isobutylphenyl)sulfonylazepane Formula: C16H25NO2S MolecularWeight: 295.4402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2S/c1-14(2)13-15-7-9-16(10-8-15)20(18,19)17-11-5-3-4-6-12-17/h7-10,14H,3-6,11-13H2,1-2H3