2-[3-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]quinolin-2-yl]sulfanylethanal

Systemtic Name: 2-[3-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]quinolin-2-yl]sulfanylethanal Openeye Name: 2-[[3-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-quinolyl]sulfanyl]acetaldehyde CAS Name: 2-[[3-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-2-quinolinyl]thio]acetaldehyde IUPAC Name: 2-[3-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]quinolin-2-yl]sulfanylacetaldehyde Traditional Name: 2-[[3-[4-(4-mesylpiperazino)phenyl]-2-quinolyl]thio]acetaldehyde Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3SCC=O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3SCC=O

InChI

InChI=1S/C22H23N3O3S2/c1-30(27,28)25-12-10-24(11-13-25)19-8-6-17(7-9-19)20-16-18-4-2-3-5-21(18)23-22(20)29-15-14-26/h2-9,14,16H,10-13,15H2,1H3