N-butyl-3-chloranyl-4-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]benzenesulfonamide

Systemtic Name: N-butyl-3-chloranyl-4-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]benzenesulfonamide Openeye Name: N-butyl-3-chloro-4-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]benzenesulfonamide CAS Name: N-butyl-3-chloro-4-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethoxy]benzenesulfonamide IUPAC Name: N-butyl-3-chloro-4-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethoxy]benzenesulfonamide Traditional Name: N-butyl-3-chloro-4-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethoxy]benzenesulfonamide Formula: C18H29ClN3O4S+ MolecularWeight: 418.95856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC)Cl

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC)Cl

InChI

InChI=1S/C18H28ClN3O4S/c1-3-5-8-20-27(24,25)15-6-7-17(16(19)13-15)26-14-18(23)22-11-9-21(4-2)10-12-22/h6-7,13,20H,3-5,8-12,14H2,1-2H3/p+1