1-[4-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]piperazino]ethanone Formula: C19H26ClN3O4S MolecularWeight: 427.94544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H26ClN3O4S/c1-15(24)21-10-12-22(13-11-21)19(25)16-6-7-17(20)18(14-16)28(26,27)23-8-4-2-3-5-9-23/h6-7,14H,2-5,8-13H2,1H3