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

Systemtic Name: [5-[4-[(5-chloranyl-1,3-dihydroisoindol-2-yl)sulfonyl]-3-piperazin-1-yl-pyridin-2-yl]-1H-pyrimidin-2-ylidene]methanone Openeye Name: [5-[4-(5-chloroisoindolin-2-yl)sulfonyl-3-piperazin-1-yl-2-pyridyl]-1H-pyrimidin-2-ylidene]methanone CAS Name: [5-[4-[(5-chloro-1,3-dihydroisoindol-2-yl)sulfonyl]-3-(1-piperazinyl)-2-pyridinyl]-1H-pyrimidin-2-ylidene]methanone IUPAC Name: [5-[4-[(5-chloro-1,3-dihydroisoindol-2-yl)sulfonyl]-3-piperazin-1-ylpyridin-2-yl]-1H-pyrimidin-2-ylidene]methanone Traditional Name: [5-[4-(5-chloroisoindolin-2-yl)sulfonyl-3-piperazino-2-pyridyl]-1H-pyrimidin-2-ylidene]methanone Formula: C22H21ClN6O3S MolecularWeight: 484.95854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=CN=C2C3=CNC(=C=O)N=C3)S(=O)(=O)N4CC5=C(C4)C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1)C2=C(C=CN=C2C3=CNC(=C=O)N=C3)S(=O)(=O)N4CC5=C(C4)C=C(C=C5)Cl

InChI

InChI=1S/C22H21ClN6O3S/c23-18-2-1-15-12-29(13-16(15)9-18)33(31,32)19-3-4-25-21(17-10-26-20(14-30)27-11-17)22(19)28-7-5-24-6-8-28/h1-4,9-11,24,26H,5-8,12-13H2