2-[4-[2-chloranyl-5-(propan-2-ylsulfamoyl)phenyl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[2-chloranyl-5-(propan-2-ylsulfamoyl)phenyl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[2-chloro-5-(isopropylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[2-chloro-5-(propan-2-ylsulfamoyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[2-chloro-5-(propan-2-ylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[2-chloro-5-(isopropylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C19H28ClN4O4S+ MolecularWeight: 443.96802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CC[NH+](CC2)CC(=O)NC3CC3

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CC[NH+](CC2)CC(=O)NC3CC3

InChI

InChI=1S/C19H27ClN4O4S/c1-13(2)22-29(27,28)15-5-6-17(20)16(11-15)19(26)24-9-7-23(8-10-24)12-18(25)21-14-3-4-14/h5-6,11,13-14,22H,3-4,7-10,12H2,1-2H3,(H,21,25)/p+1