4-[1-[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]-2,2-dimethyl-propyl]-5-oxidanyl-2,2-dipropyl-furan-3-one

Systemtic Name: 4-[1-[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]-2,2-dimethyl-propyl]-5-oxidanyl-2,2-dipropyl-furan-3-one Openeye Name: 4-[1-[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]-2,2-dimethyl-propyl]-5-hydroxy-2,2-dipropyl-furan-3-one CAS Name: 4-[1-[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]-2,2-dimethylpropyl]-5-hydroxy-2,2-dipropyl-3-furanone IUPAC Name: 4-[1-[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]-2,2-dimethylpropyl]-5-hydroxy-2,2-dipropylfuran-3-one Traditional Name: 4-[1-[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]-2,2-dimethyl-propyl]-5-hydroxy-2,2-dipropyl-furan-3-one Formula: C29H36N2O5S MolecularWeight: 524.67154

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)C(=C(O1)O)C(C2=CC=CC(=C2)CS(=O)(=O)C3=NC4=CC=CC=C4N3)C(C)(C)C)CCC

Isomeric SMILES

CCCC1(C(=O)C(=C(O1)O)C(C2=CC=CC(=C2)CS(=O)(=O)C3=NC4=CC=CC=C4N3)C(C)(C)C)CCC

InChI

InChI=1S/C29H36N2O5S/c1-6-15-29(16-7-2)25(32)23(26(33)36-29)24(28(3,4)5)20-12-10-11-19(17-20)18-37(34,35)27-30-21-13-8-9-14-22(21)31-27/h8-14,17,24,33H,6-7,15-16,18H2,1-5H3,(H,30,31)