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

Systemtic Name: 3-(4-phenethylpiperazin-4-ium-1-yl)-N-(3-sulfamoylphenyl)propanamide Openeye Name: 3-(4-phenethylpiperazin-4-ium-1-yl)-N-(3-sulfamoylphenyl)propanamide CAS Name: 3-(4-phenethyl-1-piperazin-4-iumyl)-N-(3-sulfamoylphenyl)propanamide IUPAC Name: 3-(4-phenethylpiperazin-4-ium-1-yl)-N-(3-sulfamoylphenyl)propanamide Traditional Name: 3-(4-phenethylpiperazin-4-ium-1-yl)-N-(3-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(=CC=C3)S(=O)(=O)N

Isomeric SMILES

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

InChI

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