1-(phenylsulfonyl)-2-thiophen-2-yl-azepane

Systemtic Name: 1-(phenylsulfonyl)-2-thiophen-2-yl-azepane Openeye Name: 1-(benzenesulfonyl)-2-(2-thienyl)azepane CAS Name: 1-(benzenesulfonyl)-2-thiophen-2-ylazepane IUPAC Name: 1-(benzenesulfonyl)-2-thiophen-2-ylazepane Traditional Name: 1-besyl-2-(2-thienyl)azepane Formula: C16H19NO2S2 MolecularWeight: 321.45756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)S(=O)(=O)C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

C1CCC(N(CC1)S(=O)(=O)C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C16H19NO2S2/c18-21(19,14-8-3-1-4-9-14)17-12-6-2-5-10-15(17)16-11-7-13-20-16/h1,3-4,7-9,11,13,15H,2,5-6,10,12H2