[8-chloranyl-2-(4-methylphenyl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [8-chloranyl-2-(4-methylphenyl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Openeye Name: [8-chloro-2-(p-tolyl)-4-quinolyl]-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: [8-chloro-2-(4-methylphenyl)-4-quinolinyl]-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: [8-chloro-2-(4-methylphenyl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: [8-chloro-2-(p-tolyl)-4-quinolyl]-(4-mesylpiperazino)methanone Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C22H22ClN3O3S/c1-15-6-8-16(9-7-15)20-14-18(17-4-3-5-19(23)21(17)24-20)22(27)25-10-12-26(13-11-25)30(2,28)29/h3-9,14H,10-13H2,1-2H3