N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]acetamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4

Isomeric SMILES

CSCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4

InChI

InChI=1S/C21H23N5O3S2/c1-30-14-20-24-17-8-2-3-9-18(17)26(20)13-21(27)23-15-6-4-7-16(12-15)31(28,29)25-19-10-5-11-22-19/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,22,25)(H,23,27)