3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide

Systemtic Name: 3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide Openeye Name: 3-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide CAS Name: 3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]-N-(3-sulfamoylphenyl)propanamide IUPAC Name: 3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide Traditional Name: 3-[4-(3-fluoro-4-methoxy-benzyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propionamide Formula: C21H28FN4O4S+ MolecularWeight: 451.534823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)F

InChI

InChI=1S/C21H27FN4O4S/c1-30-20-6-5-16(13-19(20)22)15-26-11-9-25(10-12-26)8-7-21(27)24-17-3-2-4-18(14-17)31(23,28)29/h2-6,13-14H,7-12,15H2,1H3,(H,24,27)(H2,23,28,29)/p+1