2-chloranyl-3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]quinoline

Systemtic Name: 2-chloranyl-3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]quinoline Openeye Name: 2-chloro-3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]quinoline CAS Name: 2-chloro-3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methyl]quinoline IUPAC Name: 2-chloro-3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]quinoline Traditional Name: 2-chloro-3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methyl]quinoline Formula: C23H24ClN3O4S MolecularWeight: 473.97236

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=CC=CC=C5N=C4Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=CC=CC=C5N=C4Cl)OC1

InChI

InChI=1S/C23H24ClN3O4S/c24-23-18(14-17-4-1-2-5-20(17)25-23)16-26-8-10-27(11-9-26)32(28,29)19-6-7-21-22(15-19)31-13-3-12-30-21/h1-2,4-7,14-15H,3,8-13,16H2