N-[2-chloranyl-4-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propylsulfamoyl]phenyl]ethanamide

Systemtic Name: N-[2-chloranyl-4-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propylsulfamoyl]phenyl]ethanamide Openeye Name: N-[4-[3-(4-benzylpiperazin-1-ium-1-yl)propylsulfamoyl]-2-chloro-phenyl]acetamide CAS Name: N-[2-chloro-4-[3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propylsulfamoyl]phenyl]acetamide IUPAC Name: N-[4-[3-(4-benzylpiperazin-1-ium-1-yl)propylsulfamoyl]-2-chlorophenyl]acetamide Traditional Name: N-[4-[3-(4-benzylpiperazin-1-ium-1-yl)propylsulfamoyl]-2-chloro-phenyl]acetamide Formula: C22H30ClN4O3S+ MolecularWeight: 466.0166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NCCC[NH+]2CCN(CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NCCC[NH+]2CCN(CC2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H29ClN4O3S/c1-18(28)25-22-9-8-20(16-21(22)23)31(29,30)24-10-5-11-26-12-14-27(15-13-26)17-19-6-3-2-4-7-19/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,25,28)/p+1