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

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

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

InChI

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