[5-[3-[2-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-2-(2-hydroxyethyl)piperazin-1-yl]pyridin-2-yl]-1H-pyrimidin-2-ylidene]methanone

Systemtic Name: [5-[3-[2-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-2-(2-hydroxyethyl)piperazin-1-yl]pyridin-2-yl]-1H-pyrimidin-2-ylidene]methanone Openeye Name: [5-[3-[2-(6-chlorobenzothiophen-2-yl)sulfonyl-2-(2-hydroxyethyl)piperazin-1-yl]-2-pyridyl]-1H-pyrimidin-2-ylidene]methanone CAS Name: [5-[3-[2-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-(2-hydroxyethyl)-1-piperazinyl]-2-pyridinyl]-1H-pyrimidin-2-ylidene]methanone IUPAC Name: [5-[3-[2-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-(2-hydroxyethyl)piperazin-1-yl]pyridin-2-yl]-1H-pyrimidin-2-ylidene]methanone Traditional Name: [5-[3-[2-(6-chlorobenzothiophen-2-yl)sulfonyl-2-(2-hydroxyethyl)piperazino]-2-pyridyl]-1H-pyrimidin-2-ylidene]methanone Formula: C24H22ClN5O4S2 MolecularWeight: 544.04558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)(CCO)S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)C4=C(N=CC=C4)C5=CNC(=C=O)N=C5

Isomeric SMILES

C1CN(C(CN1)(CCO)S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)C4=C(N=CC=C4)C5=CNC(=C=O)N=C5

InChI

InChI=1S/C24H22ClN5O4S2/c25-18-4-3-16-10-22(35-20(16)11-18)36(33,34)24(5-9-31)15-26-7-8-30(24)19-2-1-6-27-23(19)17-12-28-21(14-32)29-13-17/h1-4,6,10-13,26,28,31H,5,7-9,15H2