[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-[[3-(diethylsulfamoyl)phenyl]carbonylamino]-3-methyl-butanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-[[3-(diethylsulfamoyl)phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[3-(diethylsulfamoyl)phenyl]-oxomethyl]amino]-3-methylbutanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methyl-butyric acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C22H30N4O6S MolecularWeight: 478.5618

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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)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O6S/c1-6-26(7-2)33(30,31)17-10-8-9-16(11-17)21(28)25-20(14(3)4)22(29)32-13-19(27)18(12-23)15(5)24/h8-11,14,18,20,24H,6-7,13H2,1-5H3,(H,25,28)/t18-,20+/m1/s1