[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone Openeye Name: (2-isobutoxy-5-methylsulfonyl-phenyl)-[4-(2-quinolyl)piperazin-1-yl]methanone CAS Name: [2-(2-methylpropoxy)-5-methylsulfonylphenyl]-[4-(2-quinolinyl)-1-piperazinyl]methanone IUPAC Name: [2-(2-methylpropoxy)-5-methylsulfonylphenyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone Traditional Name: (2-isobutoxy-5-mesyl-phenyl)-[4-(2-quinolyl)piperazino]methanone Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H29N3O4S/c1-18(2)17-32-23-10-9-20(33(3,30)31)16-21(23)25(29)28-14-12-27(13-15-28)24-11-8-19-6-4-5-7-22(19)26-24/h4-11,16,18H,12-15,17H2,1-3H3