N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-propyl-benzenesulfonamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-propyl-benzenesulfonamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-propyl-benzenesulfonamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-propylbenzenesulfonamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-propylbenzenesulfonamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-propyl-benzenesulfonamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N3CC[NH+](CC3)CC

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N3CC[NH+](CC3)CC

InChI

InChI=1S/C21H29N3O2S/c1-3-7-18-10-12-19(13-11-18)27(25,26)22-20-8-5-6-9-21(20)24-16-14-23(4-2)15-17-24/h5-6,8-13,22H,3-4,7,14-17H2,1-2H3/p+1