1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]ethanone Formula: C26H34N4O5S2 MolecularWeight: 546.70196

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)C4=C(N(C(=C4)C)CC5CCCO5)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)C4=C(N(C(=C4)C)CC5CCCO5)C

InChI

InChI=1S/C26H34N4O5S2/c1-4-29-24-8-7-21(37(32,33)28-9-12-34-13-10-28)15-23(24)27-26(29)36-17-25(31)22-14-18(2)30(19(22)3)16-20-6-5-11-35-20/h7-8,14-15,20H,4-6,9-13,16-17H2,1-3H3