3-[3-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]propyl]-1H-benzimidazol-2-one Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCCCN4C5=CC=CC=C5NC4=O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCCCN4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C22H24N4O4S2/c27-21-23-17-7-2-3-8-19(17)26(21)13-6-14-31-22-24-18-15-16(9-10-20(18)30-22)32(28,29)25-11-4-1-5-12-25/h2-3,7-10,15H,1,4-6,11-14H2,(H,23,27)