[2-[[2-chloranyl-5-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[[2-chloranyl-5-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C21H24ClN3O6S MolecularWeight: 481.94976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N(C)C)Cl)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N(C)C)Cl)C2=CC=CC=C2

InChI

InChI=1S/C21H24ClN3O6S/c1-14(26)23-18(15-7-5-4-6-8-15)12-21(28)31-13-20(27)24-19-11-16(9-10-17(19)22)32(29,30)25(2)3/h4-11,18H,12-13H2,1-3H3,(H,23,26)(H,24,27)/t18-/m1/s1