1-[3-[(2-ethylsulfonyl-1,3-benzothiazol-7-yl)oxymethyl]phenyl]hexan-1-ol

Systemtic Name: 1-[3-[(2-ethylsulfonyl-1,3-benzothiazol-7-yl)oxymethyl]phenyl]hexan-1-ol Openeye Name: 1-[3-[(2-ethylsulfonyl-1,3-benzothiazol-7-yl)oxymethyl]phenyl]hexan-1-ol CAS Name: 1-[3-[(2-ethylsulfonyl-1,3-benzothiazol-7-yl)oxymethyl]phenyl]-1-hexanol IUPAC Name: 1-[3-[(2-ethylsulfonyl-1,3-benzothiazol-7-yl)oxymethyl]phenyl]hexan-1-ol Traditional Name: 1-[3-[(2-esyl-1,3-benzothiazol-7-yl)oxymethyl]phenyl]hexan-1-ol Formula: C22H27NO4S2 MolecularWeight: 433.58408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CC(=C1)COC2=CC=CC3=C2SC(=N3)S(=O)(=O)CC)O

Isomeric SMILES

CCCCCC(C1=CC=CC(=C1)COC2=CC=CC3=C2SC(=N3)S(=O)(=O)CC)O

InChI

InChI=1S/C22H27NO4S2/c1-3-5-6-12-19(24)17-10-7-9-16(14-17)15-27-20-13-8-11-18-21(20)28-22(23-18)29(25,26)4-2/h7-11,13-14,19,24H,3-6,12,15H2,1-2H3