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

Systemtic Name: 4-[[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]-cyclopropyl-methyl]-5-oxidanyl-2,2-dipropyl-furan-3-one Openeye Name: 4-[[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]-cyclopropyl-methyl]-5-hydroxy-2,2-dipropyl-furan-3-one CAS Name: 4-[[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]-cyclopropylmethyl]-5-hydroxy-2,2-dipropyl-3-furanone IUPAC Name: 4-[[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]-cyclopropylmethyl]-5-hydroxy-2,2-dipropylfuran-3-one Traditional Name: 4-[[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]-cyclopropyl-methyl]-5-hydroxy-2,2-dipropyl-furan-3-one Formula: C28H32N2O5S MolecularWeight: 508.62908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC(=C3)CS(=O)(=O)C4=NC5=CC=CC=C5N4)CCC

Isomeric SMILES

CCCC1(C(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC(=C3)CS(=O)(=O)C4=NC5=CC=CC=C5N4)CCC

InChI

InChI=1S/C28H32N2O5S/c1-3-14-28(15-4-2)25(31)24(26(32)35-28)23(19-12-13-19)20-9-7-8-18(16-20)17-36(33,34)27-29-21-10-5-6-11-22(21)30-27/h5-11,16,19,23,32H,3-4,12-15,17H2,1-2H3,(H,29,30)