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

Systemtic Name: N-(1-cyanocycloheptyl)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-cyanocycloheptyl)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(1-cyanocycloheptyl)-2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-cyanocycloheptyl)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-cyanocycloheptyl)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C22H33N4O5S+ MolecularWeight: 465.58622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3(CCCCCC3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3(CCCCCC3)C#N)OC

InChI

InChI=1S/C22H32N4O5S/c1-30-19-8-7-18(15-20(19)31-2)32(28,29)26-13-11-25(12-14-26)16-21(27)24-22(17-23)9-5-3-4-6-10-22/h7-8,15H,3-6,9-14,16H2,1-2H3,(H,24,27)/p+1