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

Systemtic Name: 2-chloranyl-3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]quinoline Openeye Name: 2-chloro-3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]quinoline CAS Name: 2-chloro-3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]methyl]quinoline IUPAC Name: 2-chloro-3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]quinoline Traditional Name: 2-chloro-3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]methyl]quinoline Formula: C22H22ClN3O4S MolecularWeight: 459.94578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=CC=CC=C3N=C2Cl)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1CC2=CC3=CC=CC=C3N=C2Cl)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H22ClN3O4S/c23-22-17(13-16-3-1-2-4-19(16)24-22)15-25-7-9-26(10-8-25)31(27,28)18-5-6-20-21(14-18)30-12-11-29-20/h1-6,13-14H,7-12,15H2