(2-cyanophenyl)methyl (2S)-2-[[3-(diethylsulfamoyl)phenyl]carbonylamino]-3-methyl-butanoate

Systemtic Name: (2-cyanophenyl)methyl (2S)-2-[[3-(diethylsulfamoyl)phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: (2-cyanophenyl)methyl (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[3-(diethylsulfamoyl)phenyl]-oxomethyl]amino]-3-methylbutanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methyl-butyric acid (2-cyanobenzyl) ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC=CC=C2C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC=CC=C2C#N

InChI

InChI=1S/C24H29N3O5S/c1-5-27(6-2)33(30,31)21-13-9-12-18(14-21)23(28)26-22(17(3)4)24(29)32-16-20-11-8-7-10-19(20)15-25/h7-14,17,22H,5-6,16H2,1-4H3,(H,26,28)/t22-/m0/s1