2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C21H27N5O4S2 MolecularWeight: 477.60018

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C3=CNC(=C3)C(=O)N4CCCC4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C3=CNC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H27N5O4S2/c1-24-8-10-26(11-9-24)32(29,30)17-4-5-20(23-14-17)31-15-19(27)16-12-18(22-13-16)21(28)25-6-2-3-7-25/h4-5,12-14,22H,2-3,6-11,15H2,1H3