N-[3-[cyclopropyl-[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]quinoline-8-sulfonamide

Systemtic Name: N-[3-[cyclopropyl-[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]quinoline-8-sulfonamide Openeye Name: N-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-oxo-pyran-3-yl]-cyclopropyl-methyl]phenyl]quinoline-8-sulfonamide CAS Name: N-[3-[cyclopropyl-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)-3-pyranyl]methyl]phenyl]-8-quinolinesulfonamide IUPAC Name: N-[3-[cyclopropyl-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]quinoline-8-sulfonamide Traditional Name: N-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-keto-pyran-3-yl]-cyclopropyl-methyl]phenyl]quinoline-8-sulfonamide Formula: C34H32N2O5S MolecularWeight: 580.69328

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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=CC6=C5N=CC=C6

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=CC6=C5N=CC=C6

InChI

InChI=1S/C34H32N2O5S/c1-2-23(19-22-9-4-3-5-10-22)29-21-28(37)32(34(38)41-29)31(24-16-17-24)26-12-6-14-27(20-26)36-42(39,40)30-15-7-11-25-13-8-18-35-33(25)30/h3-15,18,20-21,23-24,31,36,38H,2,16-17,19H2,1H3