2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]methyl]-1,3-benzothiazole Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C20H21N3O4S2/c24-29(25,15-5-6-17-18(13-15)27-12-11-26-17)23-9-7-22(8-10-23)14-20-21-16-3-1-2-4-19(16)28-20/h1-6,13H,7-12,14H2