3-[[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]-cyclopropyl-methyl]-2-oxidanyl-6-(1-phenylbutan-2-yl)pyran-4-one

Systemtic Name: 3-[[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]-cyclopropyl-methyl]-2-oxidanyl-6-(1-phenylbutan-2-yl)pyran-4-one Openeye Name: 3-[[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]-cyclopropyl-methyl]-6-(1-benzylpropyl)-2-hydroxy-pyran-4-one CAS Name: 3-[[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]-cyclopropylmethyl]-2-hydroxy-6-(1-phenylbutan-2-yl)-4-pyranone IUPAC Name: 3-[[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]-cyclopropylmethyl]-2-hydroxy-6-(1-phenylbutan-2-yl)pyran-4-one Traditional Name: 3-[[3-(1H-benzimidazol-2-ylsulfonylmethyl)phenyl]-cyclopropyl-methyl]-6-(1-benzylpropyl)-2-hydroxy-pyran-4-one Formula: C33H32N2O5S MolecularWeight: 568.68258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC=CC(=C4)CS(=O)(=O)C5=NC6=CC=CC=C6N5

Isomeric SMILES

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC=CC(=C4)CS(=O)(=O)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C33H32N2O5S/c1-2-23(17-21-9-4-3-5-10-21)29-19-28(36)31(32(37)40-29)30(24-15-16-24)25-12-8-11-22(18-25)20-41(38,39)33-34-26-13-6-7-14-27(26)35-33/h3-14,18-19,23-24,30,37H,2,15-17,20H2,1H3,(H,34,35)