2-(2,4-dimethylquinolin-3-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2,4-dimethylquinolin-3-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(2,4-dimethyl-3-quinolyl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(2,4-dimethyl-3-quinolinyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-(2,4-dimethylquinolin-3-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(2,4-dimethyl-3-quinolyl)-1-[4-(2-thienylsulfonyl)piperazino]ethanone Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H23N3O3S2/c1-15-17-6-3-4-7-19(17)22-16(2)18(15)14-20(25)23-9-11-24(12-10-23)29(26,27)21-8-5-13-28-21/h3-8,13H,9-12,14H2,1-2H3