3-[(4-methoxyphenyl)sulfonylmethyl]-2-oxidanyl-6-phenyl-hexanenitrile

Systemtic Name: 3-[(4-methoxyphenyl)sulfonylmethyl]-2-oxidanyl-6-phenyl-hexanenitrile Openeye Name: 2-hydroxy-3-[(4-methoxyphenyl)sulfonylmethyl]-6-phenyl-hexanenitrile CAS Name: 2-hydroxy-3-[(4-methoxyphenyl)sulfonylmethyl]-6-phenylhexanenitrile IUPAC Name: 2-hydroxy-3-[(4-methoxyphenyl)sulfonylmethyl]-6-phenylhexanenitrile Traditional Name: 2-hydroxy-3-[(4-methoxyphenyl)sulfonylmethyl]-6-phenyl-hexanenitrile Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CC(CCCC2=CC=CC=C2)C(C#N)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CC(CCCC2=CC=CC=C2)C(C#N)O

InChI

InChI=1S/C20H23NO4S/c1-25-18-10-12-19(13-11-18)26(23,24)15-17(20(22)14-21)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-13,17,20,22H,5,8-9,15H2,1H3