(2S)-2-(azocan-1-ium-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

Systemtic Name: (2S)-2-(azocan-1-ium-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide Openeye Name: (2S)-2-(azocan-1-ium-1-yl)-N-[4-(isopropylsulfamoyl)phenyl]propanamide CAS Name: (2S)-2-(1-azocan-1-iumyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide IUPAC Name: (2S)-2-(azocan-1-ium-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide Traditional Name: (2S)-2-(azocan-1-ium-1-yl)-N-[4-(isopropylsulfamoyl)phenyl]propionamide Formula: C19H32N3O3S+ MolecularWeight: 382.54068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCCCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(C)C)[NH+]2CCCCCCC2

InChI

InChI=1S/C19H31N3O3S/c1-15(2)21-26(24,25)18-11-9-17(10-12-18)20-19(23)16(3)22-13-7-5-4-6-8-14-22/h9-12,15-16,21H,4-8,13-14H2,1-3H3,(H,20,23)/p+1/t16-/m0/s1