5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]sulfonyl-8-methyl-quinoline

Systemtic Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]sulfonyl-8-methyl-quinoline Openeye Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]sulfonyl-8-methyl-quinoline CAS Name: 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]sulfonyl]-8-methylquinoline IUPAC Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]sulfonyl-8-methylquinoline Traditional Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]sulfonyl-8-methyl-quinoline Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)S(=O)(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)S(=O)(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5)C=CC=N2

InChI

InChI=1S/C22H23N3O6S2/c1-16-4-7-21(18-3-2-8-23-22(16)18)33(28,29)25-11-9-24(10-12-25)32(26,27)17-5-6-19-20(15-17)31-14-13-30-19/h2-8,15H,9-14H2,1H3