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

Systemtic Name: 2-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]methyl]-1,3-benzoxazole Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC4=NC5=CC=CC=C5O4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H24N4O3S2/c1-2-26-19-11-10-16(31(27,28)25-12-6-3-7-13-25)14-18(19)24-22(26)30-15-21-23-17-8-4-5-9-20(17)29-21/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3