[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-chloranyl-5-methylsulfanyl-phenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-chloranyl-5-methylsulfanyl-phenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-chloro-5-methylsulfanyl-phenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[2-chloro-5-(methylthio)phenyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-[2-chloro-5-(methylthio)phenyl]methanone Formula: C18H26ClN3O3S2 MolecularWeight: 432.00034

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H26ClN3O3S2/c1-26-15-6-7-17(19)16(14-15)18(23)20-10-12-22(13-11-20)27(24,25)21-8-4-2-3-5-9-21/h6-7,14H,2-5,8-13H2,1H3