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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3,4-dimethylphenyl)sulfanyl-propanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3,4-dimethylphenyl)sulfanyl-propanamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-[(3,4-dimethylphenyl)thio]propanamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]propionamide Formula: C21H26N3O3S2+ MolecularWeight: 432.57944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)C

InChI

InChI=1S/C21H25N3O3S2/c1-15-8-9-18(13-16(15)2)28-12-10-21(25)23-17-5-3-6-19(14-17)29(26,27)24-20-7-4-11-22-20/h3,5-6,8-9,13-14H,4,7,10-12H2,1-2H3,(H,22,24)(H,23,25)/p+1