2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one Openeye Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one CAS Name: 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-3-[3-(1-pyrrolidinylsulfonyl)phenyl]-4-quinazolinone IUPAC Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-3-(3-pyrrolidinosulfonylphenyl)quinazolin-4-one Formula: C26H23N3O6S2 MolecularWeight: 537.60732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)C5=CC(=C(C=C5)O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)C5=CC(=C(C=C5)O)O

InChI

InChI=1S/C26H23N3O6S2/c30-22-11-10-17(14-23(22)31)24(32)16-36-26-27-21-9-2-1-8-20(21)25(33)29(26)18-6-5-7-19(15-18)37(34,35)28-12-3-4-13-28/h1-2,5-11,14-15,30-31H,3-4,12-13,16H2