2-[4-[3-[butyl(phenyl)sulfamoyl]phenyl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[3-[butyl(phenyl)sulfamoyl]phenyl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[3-[butyl(phenyl)sulfamoyl]benzoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[3-[butyl(phenyl)sulfamoyl]phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[3-[butyl(phenyl)sulfamoyl]benzoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[3-[butyl(phenyl)sulfamoyl]benzoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C26H35N4O4S+ MolecularWeight: 499.6455

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C26H34N4O4S/c1-2-3-14-30(23-9-5-4-6-10-23)35(33,34)24-11-7-8-21(19-24)26(32)29-17-15-28(16-18-29)20-25(31)27-22-12-13-22/h4-11,19,22H,2-3,12-18,20H2,1H3,(H,27,31)/p+1