3-(4-phenethylpiperazin-4-ium-1-yl)-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 3-(4-phenethylpiperazin-4-ium-1-yl)-N-(4-sulfamoylphenyl)propanamide Openeye Name: 3-(4-phenethylpiperazin-4-ium-1-yl)-N-(4-sulfamoylphenyl)propanamide CAS Name: 3-(4-phenethyl-1-piperazin-4-iumyl)-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 3-(4-phenethylpiperazin-4-ium-1-yl)-N-(4-sulfamoylphenyl)propanamide Traditional Name: 3-(4-phenethylpiperazin-4-ium-1-yl)-N-(4-sulfamoylphenyl)propionamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H28N4O3S/c22-29(27,28)20-8-6-19(7-9-20)23-21(26)11-13-25-16-14-24(15-17-25)12-10-18-4-2-1-3-5-18/h1-9H,10-17H2,(H,23,26)(H2,22,27,28)/p+1