(2-chloranyl-5-methylsulfanyl-phenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-methylsulfanyl-phenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: (2-chloro-5-methylsulfanyl-phenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone CAS Name: [2-chloro-5-(methylthio)phenyl]-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-methylsulfanylphenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: [2-chloro-5-(methylthio)phenyl]-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methanone Formula: C21H23ClN2O5S2 MolecularWeight: 483.00072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23ClN2O5S2/c1-30-15-3-5-18(22)17(13-15)21(25)23-7-9-24(10-8-23)31(26,27)16-4-6-19-20(14-16)29-12-2-11-28-19/h3-6,13-14H,2,7-12H2,1H3