1-[4-[4-(2-propan-2-ylquinolin-4-yl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(2-propan-2-ylquinolin-4-yl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(2-isopropylquinoline-4-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[oxo-(2-propan-2-yl-4-quinolinyl)methyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(2-isopropylquinoline-4-carbonyl)piperazino]sulfonylphenyl]ethanone Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4S/c1-17(2)24-16-22(21-6-4-5-7-23(21)26-24)25(30)27-12-14-28(15-13-27)33(31,32)20-10-8-19(9-11-20)18(3)29/h4-11,16-17H,12-15H2,1-3H3