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

Systemtic Name: 1-methyl-3-methylsulfonyl-4-(4-thiophen-3-ylcarbonylpiperazin-1-yl)quinolin-2-one Openeye Name: 1-methyl-3-methylsulfonyl-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinolin-2-one CAS Name: 1-methyl-3-methylsulfonyl-4-[4-[oxo(3-thiophenyl)methyl]-1-piperazinyl]-2-quinolinone IUPAC Name: 1-methyl-3-methylsulfonyl-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinolin-2-one Traditional Name: 3-mesyl-1-methyl-4-[4-(3-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=CSC=C4

Isomeric SMILES

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

InChI

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