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

Systemtic Name: 3-[2-[(4-tert-butylphenyl)methoxy]-3-methoxy-phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[2-[(4-tert-butylphenyl)methoxy]-3-methoxy-phenyl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[2-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[2-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]prop-2-enenitrile Traditional Name: 2-besyl-3-[2-(4-tert-butylbenzyl)oxy-3-methoxy-phenyl]acrylonitrile Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC2=C(C=CC=C2OC)C=C(C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC2=C(C=CC=C2OC)C=C(C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H27NO4S/c1-27(2,3)22-15-13-20(14-16-22)19-32-26-21(9-8-12-25(26)31-4)17-24(18-28)33(29,30)23-10-6-5-7-11-23/h5-17H,19H2,1-4H3