(2S)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenylsulfanyl-propanamide

Systemtic Name: (2S)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenylsulfanyl-propanamide Openeye Name: (2S)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenylsulfanyl-propanamide CAS Name: (2S)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(phenylthio)propanamide IUPAC Name: (2S)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide Traditional Name: (2S)-2-(phenylthio)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]propionamide Formula: C19H22N3O3S2+ MolecularWeight: 404.52628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=[NH+]CCC2)SC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=[NH+]CCC2)SC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O3S2/c1-14(26-16-8-3-2-4-9-16)19(23)21-15-7-5-10-17(13-15)27(24,25)22-18-11-6-12-20-18/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,20,22)(H,21,23)/p+1/t14-/m0/s1