3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-2-chloranyl-quinoline

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-2-chloranyl-quinoline Openeye Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-2-chloro-quinoline CAS Name: 3-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-2-chloroquinoline IUPAC Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-2-chloroquinoline Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-2-chloro-quinoline Formula: C20H27ClN4O2S MolecularWeight: 422.97198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C20H27ClN4O2S/c21-20-18(15-17-7-3-4-8-19(17)22-20)16-23-11-13-25(14-12-23)28(26,27)24-9-5-1-2-6-10-24/h3-4,7-8,15H,1-2,5-6,9-14,16H2