(2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propionamide 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(C)[NH+]2CCN(CC2)C3=CC=CC=N3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=N3)C

InChI

InChI=1S/C23H33N5O3S/c1-5-28(6-2)32(30,31)21-17-20(11-10-18(21)3)25-23(29)19(4)26-13-15-27(16-14-26)22-9-7-8-12-24-22/h7-12,17,19H,5-6,13-16H2,1-4H3,(H,25,29)/p+1/t19-/m0/s1