1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]-2-[(1-methyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-[(1-methylbenzimidazol-2-yl)thio]ethanone Formula: C26H28N4O4S2 MolecularWeight: 524.65492

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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=C5N4C

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C(=O)CSC4=NC5=CC=CC=C5N4C

InChI

InChI=1S/C26H28N4O4S2/c1-18-15-22(25(31)17-35-26-27-23-9-4-5-10-24(23)28(26)3)19(2)30(18)20-7-6-8-21(16-20)36(32,33)29-11-13-34-14-12-29/h4-10,15-16H,11-14,17H2,1-3H3