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

Systemtic Name: methyl (2S)-2-[[4-(2-cyanoethylsulfamoyl)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-(2-cyanoethylsulfamoyl)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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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)NCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-28-20(25)18(14-15-6-3-2-4-7-15)23-19(24)16-8-10-17(11-9-16)29(26,27)22-13-5-12-21/h2-4,6-11,18,22H,5,13-14H2,1H3,(H,23,24)/t18-/m0/s1