1-methyl-3-methylsulfonyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-2-one

Systemtic Name: 1-methyl-3-methylsulfonyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-2-one Openeye Name: 1-methyl-3-methylsulfonyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one CAS Name: 1-methyl-3-methylsulfonyl-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-quinolinone IUPAC Name: 1-methyl-3-methylsulfonyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one Traditional Name: 3-mesyl-1-methyl-4-[4-(2-thenoyl)piperazino]carbostyril Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(C1=O)S(=O)(=O)C)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(C1=O)S(=O)(=O)C)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H21N3O4S2/c1-21-15-7-4-3-6-14(15)17(18(20(21)25)29(2,26)27)22-9-11-23(12-10-22)19(24)16-8-5-13-28-16/h3-8,13H,9-12H2,1-2H3