3-[5-bromanyl-2-[(3-methoxyphenyl)methoxy]phenyl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-[5-bromanyl-2-[(3-methoxyphenyl)methoxy]phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]prop-2-enenitrile Traditional Name: 2-besyl-3-(5-bromo-2-m-anisyloxy-phenyl)acrylonitrile Formula: C23H18BrNO4S MolecularWeight: 484.36232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2=C(C=C(C=C2)Br)C=C(C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)COC2=C(C=C(C=C2)Br)C=C(C#N)S(=O)(=O)C3=CC=CC=C3

InChI

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