4-[[6-tert-butyl-5-[[2-[2-[2-(hydroxymethyl)phenyl]ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 4-[[6-tert-butyl-5-[[2-[2-[2-(hydroxymethyl)phenyl]ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarbonitrile Openeye Name: 4-[6-tert-butyl-5-[[6-hydroxy-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-2-isopropyl-4-oxo-3H-pyran-5-yl]sulfanyl]indolin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[6-tert-butyl-5-[[6-hydroxy-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-oxo-2-propan-2-yl-3H-pyran-5-yl]thio]-2,3-dihydroindol-1-yl]sulfonyl]benzonitrile IUPAC Name: 4-[[6-tert-butyl-5-[[6-hydroxy-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-oxo-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-2,3-dihydroindol-1-yl]sulfonyl]benzonitrile Traditional Name: 4-[6-tert-butyl-5-[[6-hydroxy-2-isopropyl-4-keto-2-[2-(2-methylolphenyl)ethyl]-3H-pyran-5-yl]thio]indolin-1-yl]sulfonylbenzonitrile Formula: C36H40N2O6S2 MolecularWeight: 660.8426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(=O)C(=C(O1)O)SC2=C(C=C3C(=C2)CCN3S(=O)(=O)C4=CC=C(C=C4)C#N)C(C)(C)C)CCC5=CC=CC=C5CO

Isomeric SMILES

CC(C)C1(CC(=O)C(=C(O1)O)SC2=C(C=C3C(=C2)CCN3S(=O)(=O)C4=CC=C(C=C4)C#N)C(C)(C)C)CCC5=CC=CC=C5CO

InChI

InChI=1S/C36H40N2O6S2/c1-23(2)36(16-14-25-8-6-7-9-27(25)22-39)20-31(40)33(34(41)44-36)45-32-18-26-15-17-38(30(26)19-29(32)35(3,4)5)46(42,43)28-12-10-24(21-37)11-13-28/h6-13,18-19,23,39,41H,14-17,20,22H2,1-5H3