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

Systemtic Name: 3-[2-[(4-tert-butylphenyl)methoxy]-3-methoxy-phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-[2-[(4-tert-butylphenyl)methoxy]-3-methoxy-phenyl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-[2-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-[2-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-[2-(4-tert-butylbenzyl)oxy-3-methoxy-phenyl]-2-tosyl-acrylonitrile Formula: C28H29NO4S MolecularWeight: 475.59916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(C(=CC=C2)OC)OCC3=CC=C(C=C3)C(C)(C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(C(=CC=C2)OC)OCC3=CC=C(C=C3)C(C)(C)C)C#N

InChI

InChI=1S/C28H29NO4S/c1-20-9-15-24(16-10-20)34(30,31)25(18-29)17-22-7-6-8-26(32-5)27(22)33-19-21-11-13-23(14-12-21)28(2,3)4/h6-17H,19H2,1-5H3