[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]-(4-quinolin-3-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]-(4-quinolin-3-ylpiperazin-1-yl)methanone Openeye Name: (2-isobutoxy-5-methylsulfonyl-phenyl)-[4-(3-quinolyl)piperazin-1-yl]methanone CAS Name: [2-(2-methylpropoxy)-5-methylsulfonylphenyl]-[4-(3-quinolinyl)-1-piperazinyl]methanone IUPAC Name: [2-(2-methylpropoxy)-5-methylsulfonylphenyl]-(4-quinolin-3-ylpiperazin-1-yl)methanone Traditional Name: (2-isobutoxy-5-mesyl-phenyl)-[4-(3-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=CC4=CC=CC=C4N=C3

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC4=CC=CC=C4N=C3

InChI

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