2-[4-(azepan-1-ylsulfonyl)imidazol-1-yl]-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)imidazol-1-yl]-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-(azepan-1-ylsulfonyl)imidazol-1-yl]-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(1-azepanylsulfonyl)-1-imidazolyl]-1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)imidazol-1-yl]-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-(azepan-1-ylsulfonyl)imidazol-1-yl]-1-[4-(5-chloro-2-methyl-phenyl)piperazino]ethanone Formula: C22H30ClN5O3S MolecularWeight: 480.0233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CN3C=C(N=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CN3C=C(N=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H30ClN5O3S/c1-18-6-7-19(23)14-20(18)26-10-12-27(13-11-26)22(29)16-25-15-21(24-17-25)32(30,31)28-8-4-2-3-5-9-28/h6-7,14-15,17H,2-5,8-13,16H2,1H3