2-[2-oxidanyl-3-(phenylsulfonyl)propoxy]benzenecarbonitrile

Systemtic Name: 2-[2-oxidanyl-3-(phenylsulfonyl)propoxy]benzenecarbonitrile Openeye Name: 2-[3-(benzenesulfonyl)-2-hydroxy-propoxy]benzonitrile CAS Name: 2-[3-(benzenesulfonyl)-2-hydroxypropoxy]benzonitrile IUPAC Name: 2-[3-(benzenesulfonyl)-2-hydroxypropoxy]benzonitrile Traditional Name: 2-(3-besyl-2-hydroxy-propoxy)benzonitrile Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC(COC2=CC=CC=C2C#N)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC(COC2=CC=CC=C2C#N)O

InChI

InChI=1S/C16H15NO4S/c17-10-13-6-4-5-9-16(13)21-11-14(18)12-22(19,20)15-7-2-1-3-8-15/h1-9,14,18H,11-12H2