1-[3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-(8-quinolylmethyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-(8-quinolinylmethyl)-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[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(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

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

InChI

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