3-[2-[(3,5-dimethylphenyl)methoxy]-3-methoxy-phenyl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-[2-[(3,5-dimethylphenyl)methoxy]-3-methoxy-phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[2-[(3,5-dimethylphenyl)methoxy]-3-methoxy-phenyl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[2-[(3,5-dimethylphenyl)methoxy]-3-methoxyphenyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[2-[(3,5-dimethylphenyl)methoxy]-3-methoxyphenyl]prop-2-enenitrile Traditional Name: 2-besyl-3-[2-(3,5-dimethylbenzyl)oxy-3-methoxy-phenyl]acrylonitrile Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC2=C(C=CC=C2OC)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC2=C(C=CC=C2OC)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C25H23NO4S/c1-18-12-19(2)14-20(13-18)17-30-25-21(8-7-11-24(25)29-3)15-23(16-26)31(27,28)22-9-5-4-6-10-22/h4-15H,17H2,1-3H3