4-[3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: 4-[3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: 4-[3-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: 4-[3-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]benzenesulfonamide IUPAC Name: 4-[3-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: 4-[3-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-keto-propyl]benzenesulfonamide Formula: C18H23ClN3O3S2+ MolecularWeight: 428.97652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H22ClN3O3S2/c19-17-7-4-15(26-17)13-21-9-11-22(12-10-21)18(23)8-3-14-1-5-16(6-2-14)27(20,24)25/h1-2,4-7H,3,8-13H2,(H2,20,24,25)/p+1