[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone Openeye Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone CAS Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-[2-methoxy-4-(methylthio)phenyl]methanone IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone Traditional Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-[2-methoxy-4-(methylthio)phenyl]methanone Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24N2O6S2/c1-27-19-13-15(30-2)3-5-17(19)21(24)22-7-9-23(10-8-22)31(25,26)16-4-6-18-20(14-16)29-12-11-28-18/h3-6,13-14H,7-12H2,1-2H3