2-(2-chloranyl-4-morpholin-4-ylsulfonyl-phenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(2-chloranyl-4-morpholin-4-ylsulfonyl-phenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(2-chloro-4-morpholinosulfonyl-phenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[2-chloro-4-(4-morpholinylsulfonyl)phenoxy]-1-(4-ethyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(2-chloro-4-morpholinosulfonyl-phenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)ethanone Formula: C18H27ClN3O5S+ MolecularWeight: 432.94208

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C18H26ClN3O5S/c1-2-20-5-7-21(8-6-20)18(23)14-27-17-4-3-15(13-16(17)19)28(24,25)22-9-11-26-12-10-22/h3-4,13H,2,5-12,14H2,1H3/p+1