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

Systemtic Name: tert-butyl 2-[2-[4-(hydroxymethyl)phenyl]ethynyl-(phenylsulfonyl)amino]propanoate Openeye Name: tert-butyl 2-[benzenesulfonyl-[2-[4-(hydroxymethyl)phenyl]ethynyl]amino]propanoate CAS Name: 2-[benzenesulfonyl-[2-[4-(hydroxymethyl)phenyl]ethynyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[benzenesulfonyl-[2-[4-(hydroxymethyl)phenyl]ethynyl]amino]propanoate Traditional Name: 2-[besyl-[2-(4-methylolphenyl)ethynyl]amino]propionic acid tert-butyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)N(C#CC1=CC=C(C=C1)CO)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)OC(C)(C)C)N(C#CC1=CC=C(C=C1)CO)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H25NO5S/c1-17(21(25)28-22(2,3)4)23(29(26,27)20-8-6-5-7-9-20)15-14-18-10-12-19(16-24)13-11-18/h5-13,17,24H,16H2,1-4H3