3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-2-chloranyl-7-methylsulfanyl-quinoline

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-2-chloranyl-7-methylsulfanyl-quinoline Openeye Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-2-chloro-7-methylsulfanyl-quinoline CAS Name: 3-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-2-chloro-7-(methylthio)quinoline IUPAC Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-2-chloro-7-methylsulfanylquinoline Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-2-chloro-7-(methylthio)quinoline Formula: C21H29ClN4O2S2 MolecularWeight: 469.06356

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C21H29ClN4O2S2/c1-29-19-7-6-17-14-18(21(22)23-20(17)15-19)16-24-10-12-26(13-11-24)30(27,28)25-8-4-2-3-5-9-25/h6-7,14-15H,2-5,8-13,16H2,1H3