(4-methylsulfonylpiperazin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone

Systemtic Name: (4-methylsulfonylpiperazin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone Openeye Name: (4-methylsulfonylpiperazin-1-yl)-[2-(2-thienyl)-4-quinolyl]methanone CAS Name: (4-methylsulfonyl-1-piperazinyl)-(2-thiophen-2-yl-4-quinolinyl)methanone IUPAC Name: (4-methylsulfonylpiperazin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone Traditional Name: (4-mesylpiperazino)-[2-(2-thienyl)-4-quinolyl]methanone Formula: C19H19N3O3S2 MolecularWeight: 401.50246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C19H19N3O3S2/c1-27(24,25)22-10-8-21(9-11-22)19(23)15-13-17(18-7-4-12-26-18)20-16-6-3-2-5-14(15)16/h2-7,12-13H,8-11H2,1H3