1-[3-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(5-pyrrolidinosulfonyl-2-pyridyl)piperazino]sulfonylphenyl]ethanone Formula: C21H26N4O5S2 MolecularWeight: 478.58494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H26N4O5S2/c1-17(26)18-5-4-6-19(15-18)31(27,28)25-13-11-23(12-14-25)21-8-7-20(16-22-21)32(29,30)24-9-2-3-10-24/h4-8,15-16H,2-3,9-14H2,1H3