methyl (2S)-2-[[3,4-dimethyl-5-(methylsulfamoyl)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[3,4-dimethyl-5-(methylsulfamoyl)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[3,4-dimethyl-5-(methylsulfamoyl)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)S(=O)(=O)NC)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)S(=O)(=O)NC)C

InChI

InChI=1S/C20H24N2O5S/c1-13-10-16(12-18(14(13)2)28(25,26)21-3)19(23)22-17(20(24)27-4)11-15-8-6-5-7-9-15/h5-10,12,17,21H,11H2,1-4H3,(H,22,23)/t17-/m0/s1