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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(3,4-dimethylphenyl)sulfanyl-ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(3,4-dimethylphenyl)sulfanyl-acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[(3,4-dimethylphenyl)thio]acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]acetamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3)C

InChI

InChI=1S/C20H23N3O3S2/c1-14-8-9-17(11-15(14)2)27-13-20(24)22-16-5-3-6-18(12-16)28(25,26)23-19-7-4-10-21-19/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3,(H,21,23)(H,22,24)