3-[cyclopropyl-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methyl]-2-oxidanyl-chromen-4-one

Systemtic Name: 3-[cyclopropyl-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methyl]-2-oxidanyl-chromen-4-one Openeye Name: 3-[cyclopropyl-[3-(2-pyridylsulfonylmethyl)phenyl]methyl]-2-hydroxy-chromen-4-one CAS Name: 3-[cyclopropyl-[3-(2-pyridinylsulfonylmethyl)phenyl]methyl]-2-hydroxy-1-benzopyran-4-one IUPAC Name: 3-[cyclopropyl-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methyl]-2-hydroxychromen-4-one Traditional Name: 3-[cyclopropyl-[3-(2-pyridylsulfonylmethyl)phenyl]methyl]-2-hydroxy-chromone Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(C2=CC=CC(=C2)CS(=O)(=O)C3=CC=CC=N3)C4=C(OC5=CC=CC=C5C4=O)O

Isomeric SMILES

C1CC1C(C2=CC=CC(=C2)CS(=O)(=O)C3=CC=CC=N3)C4=C(OC5=CC=CC=C5C4=O)O

InChI

InChI=1S/C25H21NO5S/c27-24-19-8-1-2-9-20(19)31-25(28)23(24)22(17-11-12-17)18-7-5-6-16(14-18)15-32(29,30)21-10-3-4-13-26-21/h1-10,13-14,17,22,28H,11-12,15H2