2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-cyanocycloheptyl)ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-cyanocycloheptyl)ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-cyanocycloheptyl)acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(1-cyanocycloheptyl)acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-cyanocycloheptyl)acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-(1-cyanocycloheptyl)acetamide Formula: C20H28BrN4O3S+ MolecularWeight: 484.43032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H27BrN4O3S/c21-17-5-7-18(8-6-17)29(27,28)25-13-11-24(12-14-25)15-19(26)23-20(16-22)9-3-1-2-4-10-20/h5-8H,1-4,9-15H2,(H,23,26)/p+1