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

Systemtic Name: 3-[4-[(4-tert-butylphenyl)methoxy]-3-methoxy-phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[4-[(4-tert-butylphenyl)methoxy]-3-methoxy-phenyl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]prop-2-enenitrile Traditional Name: 2-besyl-3-[4-(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=C(C=C2)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)OC

InChI

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