[2-(4-bromophenyl)quinolin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: [2-(4-bromophenyl)quinolin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: [2-(4-bromophenyl)-4-quinolyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: [2-(4-bromophenyl)-4-quinolinyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: [2-(4-bromophenyl)quinolin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: [2-(4-bromophenyl)-4-quinolyl]-(4-mesyl-1,4-diazepan-1-yl)methanone Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3O3S/c1-30(28,29)26-12-4-11-25(13-14-26)22(27)19-15-21(16-7-9-17(23)10-8-16)24-20-6-3-2-5-18(19)20/h2-3,5-10,15H,4,11-14H2,1H3