(E)-2-(4-bromophenyl)sulfonyl-3-(4-methoxy-3-phenylmethoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-bromophenyl)sulfonyl-3-(4-methoxy-3-phenylmethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-3-(3-benzyloxy-4-methoxy-phenyl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile CAS Name: (E)-2-(4-bromophenyl)sulfonyl-3-(4-methoxy-3-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-bromophenyl)sulfonyl-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(3-benzoxy-4-methoxy-phenyl)-2-brosyl-acrylonitrile Formula: C23H18BrNO4S MolecularWeight: 484.36232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C23H18BrNO4S/c1-28-22-12-7-18(14-23(22)29-16-17-5-3-2-4-6-17)13-21(15-25)30(26,27)20-10-8-19(24)9-11-20/h2-14H,16H2,1H3/b21-13+