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

Systemtic Name: 3-(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(5-bromo-2-hydroxy-3-methoxy-phenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(5-bromo-2-hydroxy-3-methoxyphenyl)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(5-bromo-2-hydroxy-3-methoxyphenyl)prop-2-enenitrile Traditional Name: 2-besyl-3-(5-bromo-2-hydroxy-3-methoxy-phenyl)acrylonitrile Formula: C16H12BrNO4S MolecularWeight: 394.23978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO4S/c1-22-15-9-12(17)7-11(16(15)19)8-14(10-18)23(20,21)13-5-3-2-4-6-13/h2-9,19H,1H3