N-[3-[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]sulfanyl-2-propan-2-yl-phenyl]benzenesulfonamide

Systemtic Name: N-[3-[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]sulfanyl-2-propan-2-yl-phenyl]benzenesulfonamide Openeye Name: N-[3-[6-(1-benzylpropyl)-2-hydroxy-4-oxo-pyran-3-yl]sulfanyl-2-isopropyl-phenyl]benzenesulfonamide CAS Name: N-[3-[[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)-3-pyranyl]thio]-2-propan-2-ylphenyl]benzenesulfonamide IUPAC Name: N-[3-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)pyran-3-yl]sulfanyl-2-propan-2-ylphenyl]benzenesulfonamide Traditional Name: N-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-keto-pyran-3-yl]thio]-2-isopropyl-phenyl]benzenesulfonamide Formula: C30H31NO5S2 MolecularWeight: 549.70084

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)SC3=CC=CC(=C3C(C)C)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)SC3=CC=CC(=C3C(C)C)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H31NO5S2/c1-4-22(18-21-12-7-5-8-13-21)26-19-25(32)29(30(33)36-26)37-27-17-11-16-24(28(27)20(2)3)31-38(34,35)23-14-9-6-10-15-23/h5-17,19-20,22,31,33H,4,18H2,1-3H3