2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-cyanocycloheptyl)ethanamide

Systemtic Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-cyanocycloheptyl)ethanamide Openeye Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-cyanocycloheptyl)acetamide CAS Name: 2-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(1-cyanocycloheptyl)acetamide IUPAC Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-cyanocycloheptyl)acetamide Traditional Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-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(=CC=C3)Br

Isomeric SMILES

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

InChI

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