5-chloranyl-2-[1-(5-pyridin-4-ylpyrimidin-2-yl)piperazin-2-yl]sulfonyl-1H-indole

Systemtic Name: 5-chloranyl-2-[1-(5-pyridin-4-ylpyrimidin-2-yl)piperazin-2-yl]sulfonyl-1H-indole Openeye Name: 5-chloro-2-[1-[5-(4-pyridyl)pyrimidin-2-yl]piperazin-2-yl]sulfonyl-1H-indole CAS Name: 5-chloro-2-[[1-(5-pyridin-4-yl-2-pyrimidinyl)-2-piperazinyl]sulfonyl]-1H-indole IUPAC Name: 5-chloro-2-[1-(5-pyridin-4-ylpyrimidin-2-yl)piperazin-2-yl]sulfonyl-1H-indole Traditional Name: 5-chloro-2-[1-[5-(4-pyridyl)pyrimidin-2-yl]piperazin-2-yl]sulfonyl-1H-indole Formula: C21H19ClN6O2S MolecularWeight: 454.93256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)S(=O)(=O)C2=CC3=C(N2)C=CC(=C3)Cl)C4=NC=C(C=N4)C5=CC=NC=C5

Isomeric SMILES

C1CN(C(CN1)S(=O)(=O)C2=CC3=C(N2)C=CC(=C3)Cl)C4=NC=C(C=N4)C5=CC=NC=C5

InChI

InChI=1S/C21H19ClN6O2S/c22-17-1-2-18-15(9-17)10-19(27-18)31(29,30)20-13-24-7-8-28(20)21-25-11-16(12-26-21)14-3-5-23-6-4-14/h1-6,9-12,20,24,27H,7-8,13H2