3-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(3-ethoxy-4-isopropoxy-phenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(3-ethoxy-4-propan-2-yloxyphenyl)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enenitrile Traditional Name: 2-besyl-3-(3-ethoxy-4-isopropoxy-phenyl)acrylonitrile Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OC(C)C

InChI

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