2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]sulfonyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H25N3O6S2/c25-31(26,19-5-6-20-21(15-19)30-14-13-29-20)22-9-11-23(12-10-22)32(27,28)24-8-7-17-3-1-2-4-18(17)16-24/h1-6,15H,7-14,16H2