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

Systemtic Name: 3-[4-[(4-tert-butylphenyl)methoxy]-3-ethoxy-phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-[4-[(4-tert-butylphenyl)methoxy]-3-ethoxy-phenyl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-[4-[(4-tert-butylphenyl)methoxy]-3-ethoxyphenyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-[4-[(4-tert-butylphenyl)methoxy]-3-ethoxyphenyl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-[4-(4-tert-butylbenzyl)oxy-3-ethoxy-phenyl]-2-tosyl-acrylonitrile Formula: C29H31NO4S MolecularWeight: 489.62574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C)OCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C)OCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C29H31NO4S/c1-6-33-28-18-23(17-26(19-30)35(31,32)25-14-7-21(2)8-15-25)11-16-27(28)34-20-22-9-12-24(13-10-22)29(3,4)5/h7-18H,6,20H2,1-5H3