[2-(4-bromophenyl)-6-methyl-quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [2-(4-bromophenyl)-6-methyl-quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Openeye Name: [2-(4-bromophenyl)-6-methyl-4-quinolyl]-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: [2-(4-bromophenyl)-6-methyl-4-quinolinyl]-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: [2-(4-bromophenyl)-6-methylquinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: [2-(4-bromophenyl)-6-methyl-4-quinolyl]-(4-mesylpiperazino)methanone Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)S(=O)(=O)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)S(=O)(=O)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3O3S/c1-15-3-8-20-18(13-15)19(14-21(24-20)16-4-6-17(23)7-5-16)22(27)25-9-11-26(12-10-25)30(2,28)29/h3-8,13-14H,9-12H2,1-2H3