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

Systemtic Name: 1-[4-[4-(2-cyclopropylquinolin-4-yl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(2-cyclopropyl-4-quinolinyl)-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(2-cyclopropylquinoline-4-carbonyl)piperazino]sulfonylphenyl]ethanone Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

InChI

InChI=1S/C25H25N3O4S/c1-17(29)18-8-10-20(11-9-18)33(31,32)28-14-12-27(13-15-28)25(30)22-16-24(19-6-7-19)26-23-5-3-2-4-21(22)23/h2-5,8-11,16,19H,6-7,12-15H2,1H3