methyl (2S)-3-phenyl-2-[[4-(pyridin-4-ylsulfamoyl)phenyl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[[4-(pyridin-4-ylsulfamoyl)phenyl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[4-(4-pyridylsulfamoyl)benzoyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[4-(pyridin-4-ylsulfamoyl)phenyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[[4-(pyridin-4-ylsulfamoyl)benzoyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[4-(4-pyridylsulfamoyl)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=CC=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=NC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=NC=C3

InChI

InChI=1S/C22H21N3O5S/c1-30-22(27)20(15-16-5-3-2-4-6-16)24-21(26)17-7-9-19(10-8-17)31(28,29)25-18-11-13-23-14-12-18/h2-14,20H,15H2,1H3,(H,23,25)(H,24,26)/t20-/m0/s1