N-[1-methyl-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-3-yl]methanesulfonamide

Systemtic Name: N-[1-methyl-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-3-yl]methanesulfonamide Openeye Name: N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-3-quinolyl]methanesulfonamide CAS Name: N-[1-methyl-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinyl]methanesulfonamide IUPAC Name: N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]methanesulfonamide Traditional Name: N-[2-keto-1-methyl-4-[4-(2-thenoyl)piperazino]-3-quinolyl]methanesulfonamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S2/c1-22-15-7-4-3-6-14(15)18(17(20(22)26)21-30(2,27)28)23-9-11-24(12-10-23)19(25)16-8-5-13-29-16/h3-8,13,21H,9-12H2,1-2H3