3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: 3-(4-benzoxy-3-bromo-5-methoxy-phenyl)-2-besyl-acrylonitrile Formula: C23H18BrNO4S MolecularWeight: 484.36232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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