2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)ethanamide Openeye Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)acetamide CAS Name: 2-[4-(2-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(cyclohexylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)acetamide Traditional Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)acetamide Formula: C20H28N5O4S+ MolecularWeight: 434.53242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H27N5O4S/c21-14-16-6-4-5-9-18(16)30(28,29)25-12-10-24(11-13-25)15-19(26)23-20(27)22-17-7-2-1-3-8-17/h4-6,9,17H,1-3,7-8,10-13,15H2,(H2,22,23,26,27)/p+1