1-[4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(8-quinolylmethyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-(8-quinolinylmethyl)-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(8-quinolylmethyl)piperazino]sulfonylphenyl]ethanone Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-17(26)18-7-9-21(10-8-18)29(27,28)25-14-12-24(13-15-25)16-20-5-2-4-19-6-3-11-23-22(19)20/h2-11H,12-16H2,1H3