1-(4-bromophenyl)sulfonyl-2-thiophen-2-yl-azepane

Systemtic Name: 1-(4-bromophenyl)sulfonyl-2-thiophen-2-yl-azepane Openeye Name: 1-(4-bromophenyl)sulfonyl-2-(2-thienyl)azepane CAS Name: 1-(4-bromophenyl)sulfonyl-2-thiophen-2-ylazepane IUPAC Name: 1-(4-bromophenyl)sulfonyl-2-thiophen-2-ylazepane Traditional Name: 1-brosyl-2-(2-thienyl)azepane Formula: C16H18BrNO2S2 MolecularWeight: 400.35362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrNO2S2/c17-13-7-9-14(10-8-13)22(19,20)18-11-3-1-2-5-15(18)16-6-4-12-21-16/h4,6-10,12,15H,1-3,5,11H2