1-[4-(phenylsulfonyl)phenyl]azepane

Systemtic Name: 1-[4-(phenylsulfonyl)phenyl]azepane Openeye Name: 1-[4-(benzenesulfonyl)phenyl]azepane CAS Name: 1-[4-(benzenesulfonyl)phenyl]azepane IUPAC Name: 1-[4-(benzenesulfonyl)phenyl]azepane Traditional Name: 1-(4-besylphenyl)azepane Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21NO2S/c20-22(21,17-8-4-3-5-9-17)18-12-10-16(11-13-18)19-14-6-1-2-7-15-19/h3-5,8-13H,1-2,6-7,14-15H2