(2S)-2-(azocan-1-ium-1-yl)-N-[2-chloranyl-5-(diethylsulfamoyl)phenyl]propanamide

Systemtic Name: (2S)-2-(azocan-1-ium-1-yl)-N-[2-chloranyl-5-(diethylsulfamoyl)phenyl]propanamide Openeye Name: (2S)-2-(azocan-1-ium-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide CAS Name: (2S)-2-(1-azocan-1-iumyl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide IUPAC Name: (2S)-2-(azocan-1-ium-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide Traditional Name: (2S)-2-(azocan-1-ium-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propionamide Formula: C20H33ClN3O3S+ MolecularWeight: 431.01232

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)[NH+]2CCCCCCC2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)[C@H](C)[NH+]2CCCCCCC2

InChI

InChI=1S/C20H32ClN3O3S/c1-4-24(5-2)28(26,27)17-11-12-18(21)19(15-17)22-20(25)16(3)23-13-9-7-6-8-10-14-23/h11-12,15-16H,4-10,13-14H2,1-3H3,(H,22,25)/p+1/t16-/m0/s1