[4-[2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-phenyl]carbonylpiperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-phenyl]carbonylpiperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzoyl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[[2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-oxomethyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzoyl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzoyl]piperazino]-(2-furyl)methanone Formula: C22H28ClN4O5S+ MolecularWeight: 495.99952

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H27ClN4O5S/c1-2-24-7-13-27(14-8-24)33(30,31)17-5-6-19(23)18(16-17)21(28)25-9-11-26(12-10-25)22(29)20-4-3-15-32-20/h3-6,15-16H,2,7-14H2,1H3/p+1