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

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(3-bromo-5-methoxy-4-propoxyphenyl)prop-2-enenitrile Traditional Name: 2-besyl-3-(3-bromo-5-methoxy-4-propoxy-phenyl)acrylonitrile Formula: C19H18BrNO4S MolecularWeight: 436.31952

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C19H18BrNO4S/c1-3-9-25-19-17(20)11-14(12-18(19)24-2)10-16(13-21)26(22,23)15-7-5-4-6-8-15/h4-8,10-12H,3,9H2,1-2H3