[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-chloranyl-4,5-dimethoxy-phenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-chloranyl-4,5-dimethoxy-phenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-chloro-4,5-dimethoxy-phenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(3-chloro-4,5-dimethoxyphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-chloro-4,5-dimethoxyphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(3-chloro-4,5-dimethoxy-phenyl)methanone Formula: C19H28ClN3O5S MolecularWeight: 445.96072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)Cl)OC

InChI

InChI=1S/C19H28ClN3O5S/c1-27-17-14-15(13-16(20)18(17)28-2)19(24)21-9-11-23(12-10-21)29(25,26)22-7-5-3-4-6-8-22/h13-14H,3-12H2,1-2H3