[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [2-(2,5-dimethoxyphenyl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Openeye Name: [2-(2,5-dimethoxyphenyl)-4-quinolyl]-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: [2-(2,5-dimethoxyphenyl)-4-quinolinyl]-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: [2-(2,5-dimethoxyphenyl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: [2-(2,5-dimethoxyphenyl)-4-quinolyl]-(4-mesylpiperazino)methanone Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C23H25N3O5S/c1-30-16-8-9-22(31-2)19(14-16)21-15-18(17-6-4-5-7-20(17)24-21)23(27)25-10-12-26(13-11-25)32(3,28)29/h4-9,14-15H,10-13H2,1-3H3