3-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide

Systemtic Name: 3-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide Openeye Name: 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide CAS Name: 3-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-1-iumyl]-N-(3-sulfamoylphenyl)propanamide IUPAC Name: 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide Traditional Name: 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propionamide Formula: C21H28ClN4O4S+ MolecularWeight: 467.98942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN4O4S/c22-17-4-6-19(7-5-17)30-15-14-26-12-10-25(11-13-26)9-8-21(27)24-18-2-1-3-20(16-18)31(23,28)29/h1-7,16H,8-15H2,(H,24,27)(H2,23,28,29)/p+1