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

Systemtic Name: 4-cyano-N-[3-[cyclopropyl-[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]pyridine-2-sulfonamide Openeye Name: N-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-oxo-pyran-3-yl]-cyclopropyl-methyl]phenyl]-4-cyano-pyridine-2-sulfonamide CAS Name: 4-cyano-N-[3-[cyclopropyl-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)-3-pyranyl]methyl]phenyl]-2-pyridinesulfonamide IUPAC Name: 4-cyano-N-[3-[cyclopropyl-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]pyridine-2-sulfonamide Traditional Name: N-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-keto-pyran-3-yl]-cyclopropyl-methyl]phenyl]-4-cyano-pyridine-2-sulfonamide Formula: C31H29N3O5S MolecularWeight: 555.64406

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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=NC=CC(=C5)C#N

Isomeric SMILES

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC(=CC=C4)NS(=O)(=O)C5=NC=CC(=C5)C#N

InChI

InChI=1S/C31H29N3O5S/c1-2-22(15-20-7-4-3-5-8-20)27-18-26(35)30(31(36)39-27)29(23-11-12-23)24-9-6-10-25(17-24)34-40(37,38)28-16-21(19-32)13-14-33-28/h3-10,13-14,16-18,22-23,29,34,36H,2,11-12,15H2,1H3