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

Systemtic Name: tert-butyl 2-[2-(4-methylphenyl)ethynyl-(phenylsulfonyl)amino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[benzenesulfonyl-[2-(p-tolyl)ethynyl]amino]-3-phenyl-propanoate CAS Name: 2-[benzenesulfonyl-[2-(4-methylphenyl)ethynyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[benzenesulfonyl-[2-(4-methylphenyl)ethynyl]amino]-3-phenylpropanoate Traditional Name: 2-[besyl-[2-(p-tolyl)ethynyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C28H29NO4S MolecularWeight: 475.59916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO4S/c1-22-15-17-23(18-16-22)19-20-29(34(31,32)25-13-9-6-10-14-25)26(27(30)33-28(2,3)4)21-24-11-7-5-8-12-24/h5-18,26H,21H2,1-4H3