2-[[4-azanyl-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[[4-azanyl-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[[4-amino-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[[4-amino-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]thio]-1-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[[4-amino-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[[4-amino-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]thio]-1-[4-(4-chlorophenyl)sulfonylpiperazino]ethanone Formula: C22H23ClN6O5S2 MolecularWeight: 551.03822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NN=C(N2N)C3COC4=CC=CC=C4O3)S(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NN=C(N2N)C3COC4=CC=CC=C4O3)S(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H23ClN6O5S2/c23-15-5-7-16(8-6-15)36(31,32)28-11-9-27(10-12-28)20(30)14-35-22-26-25-21(29(22)24)19-13-33-17-3-1-2-4-18(17)34-19/h1-8,19H,9-14,24H2