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

Systemtic Name: 3-cyanopropyl (2S)-2-[[3-(diethylsulfamoyl)phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: 3-cyanopropyl (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[3-(diethylsulfamoyl)phenyl]-oxomethyl]amino]-3-methylbutanoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methyl-butyric acid 3-cyanopropyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5S/c1-5-23(6-2)29(26,27)17-11-9-10-16(14-17)19(24)22-18(15(3)4)20(25)28-13-8-7-12-21/h9-11,14-15,18H,5-8,13H2,1-4H3,(H,22,24)/t18-/m0/s1