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

Systemtic Name: 8-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]quinoline Openeye Name: 8-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]quinoline CAS Name: 8-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]quinoline IUPAC Name: 8-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]quinoline Traditional Name: 8-[(4-tosyl-1,4-diazepan-1-yl)methyl]quinoline Formula: C22H25N3O2S MolecularWeight: 395.5178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H25N3O2S/c1-18-8-10-21(11-9-18)28(26,27)25-14-4-13-24(15-16-25)17-20-6-2-5-19-7-3-12-23-22(19)20/h2-3,5-12H,4,13-17H2,1H3