[2-(3-methoxyphenyl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [2-(3-methoxyphenyl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Openeye Name: [2-(3-methoxyphenyl)-4-quinolyl]-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: [2-(3-methoxyphenyl)-4-quinolinyl]-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: [2-(3-methoxyphenyl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: (4-mesylpiperazino)-[2-(3-methoxyphenyl)-4-quinolyl]methanone Formula: C22H23N3O4S MolecularWeight: 425.50072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-29-17-7-5-6-16(14-17)21-15-19(18-8-3-4-9-20(18)23-21)22(26)24-10-12-25(13-11-24)30(2,27)28/h3-9,14-15H,10-13H2,1-2H3