tert-butyl 2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylmethyl]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylmethyl]-3-phenyl-propanoate Openeye Name: tert-butyl 2-benzyl-3-[4-[2-(p-tolyl)ethynyl]phenyl]sulfonyl-propanoate CAS Name: 2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylmethyl]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-benzyl-3-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylpropanoate Traditional Name: 2-benzyl-3-[4-[2-(p-tolyl)ethynyl]phenyl]sulfonyl-propionic acid tert-butyl ester Formula: C29H30O4S MolecularWeight: 474.6111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)S(=O)(=O)CC(CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)S(=O)(=O)CC(CC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H30O4S/c1-22-10-12-23(13-11-22)14-15-24-16-18-27(19-17-24)34(31,32)21-26(28(30)33-29(2,3)4)20-25-8-6-5-7-9-25/h5-13,16-19,26H,20-21H2,1-4H3