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

Systemtic Name: 3-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide Openeye Name: 3-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide CAS Name: 3-[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]-N-(3-sulfamoylphenyl)propanamide IUPAC Name: 3-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide Traditional Name: 3-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propionamide Formula: C21H29N4O4S+ MolecularWeight: 433.54436

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c22-30(27,28)20-8-4-5-18(17-20)23-21(26)9-10-24-11-13-25(14-12-24)15-16-29-19-6-2-1-3-7-19/h1-8,17H,9-16H2,(H,23,26)(H2,22,27,28)/p+1