1-[3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]sulfonylphenyl]ethanone Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3S/c1-16(26)17-5-4-6-18(13-17)29(27,28)25-11-9-24(10-12-25)20-14-19(21-15-22-20)23-7-2-3-8-23/h4-6,13-15H,2-3,7-12H2,1H3