1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]ethanone Formula: C24H30N4O4S2 MolecularWeight: 502.6494

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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)CC=C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O4S2/c1-5-9-28-17(3)14-20(18(28)4)23(29)16-33-24-25-21-15-19(7-8-22(21)27(24)6-2)34(30,31)26-10-12-32-13-11-26/h5,7-8,14-15H,1,6,9-13,16H2,2-4H3