[4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]piperazino]-phenyl-methanone Formula: C21H28N5O3S+ MolecularWeight: 430.54372

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H27N5O3S/c1-23-9-15-26(16-10-23)30(28,29)19-7-8-20(22-17-19)24-11-13-25(14-12-24)21(27)18-5-3-2-4-6-18/h2-8,17H,9-16H2,1H3/p+1