[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] (2R)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2R)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2R)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=CC(=C1)C#N)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NC1=CC=CC(=C1)C#N)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21N3O5S/c1-14(2)19(23-29(26,27)17-9-4-3-5-10-17)20(25)28-13-18(24)22-16-8-6-7-15(11-16)12-21/h3-11,14,19,23H,13H2,1-2H3,(H,22,24)/t19-/m1/s1