N-[3-[cyclopropyl-[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[3-[cyclopropyl-[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-oxo-pyran-3-yl]-cyclopropyl-methyl]phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-[cyclopropyl-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)-3-pyranyl]methyl]phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-[cyclopropyl-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-keto-pyran-3-yl]-cyclopropyl-methyl]phenyl]-4-nitro-benzenesulfonamide Formula: C31H30N2O7S MolecularWeight: 574.6441

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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)NS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC(=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H30N2O7S/c1-2-21(17-20-7-4-3-5-8-20)28-19-27(34)30(31(35)40-28)29(22-11-12-22)23-9-6-10-24(18-23)32-41(38,39)26-15-13-25(14-16-26)33(36)37/h3-10,13-16,18-19,21-22,29,32,35H,2,11-12,17H2,1H3