3-(4-butoxy-3-methoxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-(4-butoxy-3-methoxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(4-butoxy-3-methoxyphenyl)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(4-butoxy-3-methoxyphenyl)prop-2-enenitrile Traditional Name: 2-besyl-3-(4-butoxy-3-methoxy-phenyl)acrylonitrile Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C20H21NO4S/c1-3-4-12-25-19-11-10-16(14-20(19)24-2)13-18(15-21)26(22,23)17-8-6-5-7-9-17/h5-11,13-14H,3-4,12H2,1-2H3