8-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]quinoline

Systemtic Name: 8-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]quinoline Openeye Name: 8-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]quinoline CAS Name: 8-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]quinoline IUPAC Name: 8-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]quinoline Traditional Name: 8-[[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]sulfonyl]quinoline Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H25N3O4S2/c1-30(26,27)20-10-8-18(9-11-20)17-24-13-4-14-25(16-15-24)31(28,29)21-7-2-5-19-6-3-12-23-22(19)21/h2-3,5-12H,4,13-17H2,1H3