(3E)-3-[(4-methylsulfonylpiperazin-1-yl)-oxidanyl-methylidene]-1-(phenylmethyl)quinoline-2,4-dione

Systemtic Name: (3E)-3-[(4-methylsulfonylpiperazin-1-yl)-oxidanyl-methylidene]-1-(phenylmethyl)quinoline-2,4-dione Openeye Name: (3E)-1-benzyl-3-[hydroxy-(4-methylsulfonylpiperazin-1-yl)methylene]quinoline-2,4-dione CAS Name: (3E)-3-[hydroxy-(4-methylsulfonyl-1-piperazinyl)methylidene]-1-(phenylmethyl)quinoline-2,4-dione IUPAC Name: (3E)-1-benzyl-3-[hydroxy-(4-methylsulfonylpiperazin-1-yl)methylidene]quinoline-2,4-dione Traditional Name: (3E)-1-benzyl-3-[hydroxy-(4-mesylpiperazino)methylene]quinoline-2,4-quinone Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=C2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)/C(=C\2/C(=O)C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4)/O

InChI

InChI=1S/C22H23N3O5S/c1-31(29,30)24-13-11-23(12-14-24)21(27)19-20(26)17-9-5-6-10-18(17)25(22(19)28)15-16-7-3-2-4-8-16/h2-10,27H,11-15H2,1H3/b21-19+