6-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-N-ethyl-N-phenyl-pyridine-3-sulfonamide

Systemtic Name: 6-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-N-ethyl-N-phenyl-pyridine-3-sulfonamide Openeye Name: 6-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-N-ethyl-N-phenyl-pyridine-3-sulfonamide CAS Name: 6-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-N-ethyl-N-phenyl-3-pyridinesulfonamide IUPAC Name: 6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-N-ethyl-N-phenylpyridine-3-sulfonamide Traditional Name: 6-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-N-ethyl-N-phenyl-pyridine-3-sulfonamide Formula: C22H26ClN4O2S2+ MolecularWeight: 478.05044

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C22H25ClN4O2S2/c1-2-27(18-6-4-3-5-7-18)31(28,29)20-9-11-22(24-16-20)26-14-12-25(13-15-26)17-19-8-10-21(23)30-19/h3-11,16H,2,12-15,17H2,1H3/p+1