[4-[2-[3-[(4-methylphenoxy)sulfinylamino]phenyl]ethynyl]phenyl] 2-methylbutanoate

Systemtic Name: [4-[2-[3-[(4-methylphenoxy)sulfinylamino]phenyl]ethynyl]phenyl] 2-methylbutanoate Openeye Name: [4-[2-[3-[(4-methylphenoxy)sulfinylamino]phenyl]ethynyl]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-[2-[3-[(4-methylphenoxy)sulfinylamino]phenyl]ethynyl]phenyl] ester IUPAC Name: [4-[2-[3-[(4-methylphenoxy)sulfinylamino]phenyl]ethynyl]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-[2-[3-[(4-methylphenoxy)sulfinylamino]phenyl]ethynyl]phenyl] ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=CC=C(C=C1)C#CC2=CC(=CC=C2)NS(=O)OC3=CC=C(C=C3)C

Isomeric SMILES

CCC(C)C(=O)OC1=CC=C(C=C1)C#CC2=CC(=CC=C2)NS(=O)OC3=CC=C(C=C3)C

InChI

InChI=1S/C26H25NO4S/c1-4-20(3)26(28)30-24-16-12-21(13-17-24)10-11-22-6-5-7-23(18-22)27-32(29)31-25-14-8-19(2)9-15-25/h5-9,12-18,20,27H,4H2,1-3H3