2-[4-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[4-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-[4-[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-[[1-(4-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N,N-diethylacetamide IUPAC Name: 2-[4-[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-[1-(4-cyanophenyl)sulfonylisonipecotoyl]piperazin-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C23H34N5O4S+ MolecularWeight: 476.61216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H33N5O4S/c1-3-26(4-2)22(29)18-25-13-15-27(16-14-25)23(30)20-9-11-28(12-10-20)33(31,32)21-7-5-19(17-24)6-8-21/h5-8,20H,3-4,9-16,18H2,1-2H3/p+1