2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide Openeye Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(2-furylmethyl)benzamide CAS Name: 2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-(2-furanylmethyl)benzamide IUPAC Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide Traditional Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(2-furfuryl)benzamide Formula: C18H23ClN3O4S+ MolecularWeight: 412.91092

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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)NCC3=CC=CO3

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C18H22ClN3O4S/c1-2-21-7-9-22(10-8-21)27(24,25)15-5-6-17(19)16(12-15)18(23)20-13-14-4-3-11-26-14/h3-6,11-12H,2,7-10,13H2,1H3,(H,20,23)/p+1