N-[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]-N-(2-propan-2-yl-3-sulfanylidene-cyclohexa-1,5-dien-1-yl)benzenesulfonamide

Systemtic Name: N-[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]-N-(2-propan-2-yl-3-sulfanylidene-cyclohexa-1,5-dien-1-yl)benzenesulfonamide Openeye Name: N-[6-(1-benzylpropyl)-2-hydroxy-4-oxo-pyran-3-yl]-N-(2-isopropyl-3-thioxo-cyclohexa-1,5-dien-1-yl)benzenesulfonamide CAS Name: N-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)-3-pyranyl]-N-(2-propan-2-yl-3-sulfanylidene-1-cyclohexa-1,5-dienyl)benzenesulfonamide IUPAC Name: N-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)pyran-3-yl]-N-(2-propan-2-yl-3-sulfanylidenecyclohexa-1,5-dien-1-yl)benzenesulfonamide Traditional Name: N-[6-(1-benzylpropyl)-2-hydroxy-4-keto-pyran-3-yl]-N-(2-isopropyl-3-thioxo-cyclohexa-1,5-dien-1-yl)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)N(C3=C(C(=S)CC=C3)C(C)C)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)N(C3=C(C(=S)CC=C3)C(C)C)S(=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)31(38(34,35)23-14-9-6-10-15-23)24-16-11-17-27(37)28(24)20(2)3/h5-16,19-20,22,33H,4,17-18H2,1-3H3