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

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[4-(prop-2-enylsulfamoyl)phenyl]carbonylamino]propanoate Openeye Name: methyl (2S)-2-[[4-(allylsulfamoyl)benzoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[oxo-[4-(prop-2-enylsulfamoyl)phenyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]propanoate Traditional Name: (2S)-2-[[4-(allylsulfamoyl)benzoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

Click to see the large picture

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/C22H23N3O5S/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/h3-11,14,20,23-24H,1,12-13H2,2H3,(H,25,26)/t20-/m0/s1