[5-[5-[(5-chloranyl-2-oxidanidyl-1,3-dihydroisoindol-2-ium-2-yl)sulfonyl]-2-methyl-4-piperazin-1-yl-pyridin-3-yl]-1H-pyrimidin-2-ylidene]methanone

Systemtic Name: [5-[5-[(5-chloranyl-2-oxidanidyl-1,3-dihydroisoindol-2-ium-2-yl)sulfonyl]-2-methyl-4-piperazin-1-yl-pyridin-3-yl]-1H-pyrimidin-2-ylidene]methanone Openeye Name: [5-[5-(5-chloro-2-oxido-isoindolin-2-ium-2-yl)sulfonyl-2-methyl-4-piperazin-1-yl-3-pyridyl]-1H-pyrimidin-2-ylidene]methanone CAS Name: [5-[5-[(5-chloro-2-oxido-1,3-dihydroisoindol-2-ium-2-yl)sulfonyl]-2-methyl-4-(1-piperazinyl)-3-pyridinyl]-1H-pyrimidin-2-ylidene]methanone IUPAC Name: [5-[5-[(5-chloro-2-oxido-1,3-dihydroisoindol-2-ium-2-yl)sulfonyl]-2-methyl-4-piperazin-1-ylpyridin-3-yl]-1H-pyrimidin-2-ylidene]methanone Traditional Name: [5-[5-(5-chloro-2-oxido-isoindolin-2-ium-2-yl)sulfonyl-2-methyl-4-piperazino-3-pyridyl]-1H-pyrimidin-2-ylidene]methanone Formula: C23H23ClN6O4S MolecularWeight: 514.98452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1C2=CNC(=C=O)N=C2)N3CCNCC3)S(=O)(=O)[N+]4(CC5=C(C4)C=C(C=C5)Cl)[O-]

Isomeric SMILES

CC1=NC=C(C(=C1C2=CNC(=C=O)N=C2)N3CCNCC3)S(=O)(=O)[N+]4(CC5=C(C4)C=C(C=C5)Cl)[O-]

InChI

InChI=1S/C23H23ClN6O4S/c1-15-22(18-9-27-21(14-31)28-10-18)23(29-6-4-25-5-7-29)20(11-26-15)35(33,34)30(32)12-16-2-3-19(24)8-17(16)13-30/h2-3,8-11,25,27H,4-7,12-13H2,1H3