2-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]-1,3-benzoxazole

Systemtic Name: 2-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]methyl]-1,3-benzoxazole Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=NC5=CC=CC=C5O4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H22N4O4S2/c1-2-25-18-8-7-15(31(26,27)24-9-11-28-12-10-24)13-17(18)23-21(25)30-14-20-22-16-5-3-4-6-19(16)29-20/h3-8,13H,2,9-12,14H2,1H3