2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)SCC(=O)C4=CC=CN4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)SCC(=O)C4=CC=CN4

InChI

InChI=1S/C22H24N4O3S2/c27-21(20-7-4-10-23-20)17-30-22-9-8-19(15-24-22)31(28,29)26-13-11-25(12-14-26)16-18-5-2-1-3-6-18/h1-10,15,23H,11-14,16-17H2