1-[6-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]-1,3-benzothiazol-2-yl]pentane-1-sulfonamide

Systemtic Name: 1-[6-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]-1,3-benzothiazol-2-yl]pentane-1-sulfonamide Openeye Name: 1-[6-[(6-hydroxy-2-isopropyl-4-oxo-2-phenethyl-3H-pyran-5-yl)sulfanyl]-1,3-benzothiazol-2-yl]pentane-1-sulfonamide CAS Name: 1-[6-[(6-hydroxy-4-oxo-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)thio]-1,3-benzothiazol-2-yl]-1-pentanesulfonamide IUPAC Name: 1-[6-[(6-hydroxy-4-oxo-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]-1,3-benzothiazol-2-yl]pentane-1-sulfonamide Traditional Name: 1-[6-[(6-hydroxy-2-isopropyl-4-keto-2-phenethyl-3H-pyran-5-yl)thio]-1,3-benzothiazol-2-yl]pentane-1-sulfonamide Formula: C28H34N2O5S3 MolecularWeight: 574.77496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=NC2=C(S1)C=C(C=C2)SC3=C(OC(CC3=O)(CCC4=CC=CC=C4)C(C)C)O)S(=O)(=O)N

Isomeric SMILES

CCCCC(C1=NC2=C(S1)C=C(C=C2)SC3=C(OC(CC3=O)(CCC4=CC=CC=C4)C(C)C)O)S(=O)(=O)N

InChI

InChI=1S/C28H34N2O5S3/c1-4-5-11-24(38(29,33)34)26-30-21-13-12-20(16-23(21)37-26)36-25-22(31)17-28(18(2)3,35-27(25)32)15-14-19-9-7-6-8-10-19/h6-10,12-13,16,18,24,32H,4-5,11,14-15,17H2,1-3H3,(H2,29,33,34)