4-chloranyl-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide

Systemtic Name: 4-chloranyl-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide Openeye Name: 4-chloro-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide CAS Name: 4-chloro-N-[2-[(4-phenethyl-1-piperazin-4-iumyl)sulfonyl]ethyl]benzamide IUPAC Name: 4-chloro-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide Traditional Name: 4-chloro-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide Formula: C21H27ClN3O3S+ MolecularWeight: 436.97538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O3S/c22-20-8-6-19(7-9-20)21(26)23-11-17-29(27,28)25-15-13-24(14-16-25)12-10-18-4-2-1-3-5-18/h1-9H,10-17H2,(H,23,26)/p+1