methyl (2S)-3-phenyl-2-[[4-(prop-2-ynylsulfamoyl)phenyl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[[4-(prop-2-ynylsulfamoyl)phenyl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[4-(prop-2-ynylsulfamoyl)phenyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[4-(propargylsulfamoyl)benzoyl]amino]propionic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C

InChI

InChI=1S/C20H20N2O5S/c1-3-13-21-28(25,26)17-11-9-16(10-12-17)19(23)22-18(20(24)27-2)14-15-7-5-4-6-8-15/h1,4-12,18,21H,13-14H2,2H3,(H,22,23)/t18-/m0/s1