2-(1H-benzimidazol-2-ylsulfanyl)-1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]ethanone Formula: C25H26N4O4S2 MolecularWeight: 510.62834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C(=O)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C(=O)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H26N4O4S2/c1-17-14-21(24(30)16-34-25-26-22-8-3-4-9-23(22)27-25)18(2)29(17)19-6-5-7-20(15-19)35(31,32)28-10-12-33-13-11-28/h3-9,14-15H,10-13,16H2,1-2H3,(H,26,27)