[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-(8-oxidanylquinolin-2-yl)methanone

Systemtic Name: [4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-(8-oxidanylquinolin-2-yl)methanone Openeye Name: (8-hydroxy-2-quinolyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (8-hydroxy-2-quinolinyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (8-hydroxyquinolin-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (8-hydroxy-2-quinolyl)-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=NC4=C(C=CC=C4O)C=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=NC4=C(C=CC=C4O)C=C3

InChI

InChI=1S/C23H25N3O4S/c1-31(29,30)19-9-6-17(7-10-19)16-25-12-3-13-26(15-14-25)23(28)20-11-8-18-4-2-5-21(27)22(18)24-20/h2,4-11,27H,3,12-16H2,1H3