tert-butyl (2R)-2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2R)-2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl (2R)-2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-3-phenyl-propanoate CAS Name: (2R)-2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-3-phenylpropanoate Traditional Name: (2R)-2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-3-phenyl-propionic acid tert-butyl ester Formula: C28H29NO5S MolecularWeight: 491.59856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)OC

InChI

InChI=1S/C28H29NO5S/c1-28(2,3)34-27(30)26(20-23-8-6-5-7-9-23)29-35(31,32)25-18-14-22(15-19-25)11-10-21-12-16-24(33-4)17-13-21/h5-9,12-19,26,29H,20H2,1-4H3/t26-/m1/s1