2-[3-(4-methylphenyl)sulfonyl-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 2-[3-(4-methylphenyl)sulfonyl-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 2-[2-hydroxy-3-(p-tolylsulfonyl)propoxy]benzonitrile CAS Name: 2-[2-hydroxy-3-(4-methylphenyl)sulfonylpropoxy]benzonitrile IUPAC Name: 2-[2-hydroxy-3-(4-methylphenyl)sulfonylpropoxy]benzonitrile Traditional Name: 2-(2-hydroxy-3-tosyl-propoxy)benzonitrile Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(COC2=CC=CC=C2C#N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(COC2=CC=CC=C2C#N)O

InChI

InChI=1S/C17H17NO4S/c1-13-6-8-16(9-7-13)23(20,21)12-15(19)11-22-17-5-3-2-4-14(17)10-18/h2-9,15,19H,11-12H2,1H3