N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C23H34N5O3S+ MolecularWeight: 460.61276

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3)C

InChI

InChI=1S/C23H33N5O3S/c1-4-28(5-2)32(30,31)22-16-20(10-9-19(22)3)25-23(29)18-27-14-12-26(13-15-27)17-21-8-6-7-11-24-21/h6-11,16H,4-5,12-15,17-18H2,1-3H3,(H,25,29)/p+1