1-[3-[4-(2-methylquinolin-4-yl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-(2-methylquinolin-4-yl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-(2-methylquinoline-4-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[(2-methyl-4-quinolinyl)-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-(2-methylquinoline-4-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(2-methylquinoline-4-carbonyl)piperazino]sulfonylphenyl]ethanone Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)C

InChI

InChI=1S/C23H23N3O4S/c1-16-14-21(20-8-3-4-9-22(20)24-16)23(28)25-10-12-26(13-11-25)31(29,30)19-7-5-6-18(15-19)17(2)27/h3-9,14-15H,10-13H2,1-2H3