methyl (2R)-3-(1H-indol-3-yl)-2-[[4-(prop-2-ynylsulfamoyl)phenyl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[4-(prop-2-ynylsulfamoyl)phenyl]carbonylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[oxo-[4-(prop-2-ynylsulfamoyl)phenyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[[4-(propargylsulfamoyl)benzoyl]amino]propionic acid methyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

InChI

InChI=1S/C22H21N3O5S/c1-3-12-24-31(28,29)17-10-8-15(9-11-17)21(26)25-20(22(27)30-2)13-16-14-23-19-7-5-4-6-18(16)19/h1,4-11,14,20,23-24H,12-13H2,2H3,(H,25,26)/t20-/m1/s1