[5-[(2-chlorophenyl)methylsulfonylmethyl]furan-2-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-[(2-chlorophenyl)methylsulfonylmethyl]furan-2-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-[(2-chlorophenyl)methylsulfonylmethyl]-2-furyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [5-[(2-chlorophenyl)methylsulfonylmethyl]-2-furanyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-[(2-chlorophenyl)methylsulfonylmethyl]furan-2-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-[(2-chlorobenzyl)sulfonylmethyl]-2-furyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C19H24ClN2O4S+ MolecularWeight: 411.92286

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C19H23ClN2O4S/c1-2-21-9-11-22(12-10-21)19(23)18-8-7-16(26-18)14-27(24,25)13-15-5-3-4-6-17(15)20/h3-8H,2,9-14H2,1H3/p+1