N-(3-piperidin-1-ylsulfonylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-(1-piperidylsulfonyl)phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[3-(1-piperidinylsulfonyl)phenyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-piperidinosulfonylphenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C22H30N5O3S+ MolecularWeight: 444.5703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H29N5O3S/c28-22(18-25-13-15-26(16-14-25)21-9-2-3-10-23-21)24-19-7-6-8-20(17-19)31(29,30)27-11-4-1-5-12-27/h2-3,6-10,17H,1,4-5,11-16,18H2,(H,24,28)/p+1