3-[2-[(4-tert-butylphenyl)methoxy]phenyl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-[2-[(4-tert-butylphenyl)methoxy]phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[2-[(4-tert-butylphenyl)methoxy]phenyl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[2-[(4-tert-butylphenyl)methoxy]phenyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[2-[(4-tert-butylphenyl)methoxy]phenyl]prop-2-enenitrile Traditional Name: 2-besyl-3-[2-(4-tert-butylbenzyl)oxyphenyl]acrylonitrile Formula: C26H25NO3S MolecularWeight: 431.5466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC2=CC=CC=C2C=C(C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC2=CC=CC=C2C=C(C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H25NO3S/c1-26(2,3)22-15-13-20(14-16-22)19-30-25-12-8-7-9-21(25)17-24(18-27)31(28,29)23-10-5-4-6-11-23/h4-17H,19H2,1-3H3