[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]ethanoate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]ethanoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate CAS Name: 2-[(2-cyanophenyl)sulfonylamino]acetic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate Traditional Name: 2-[(2-cyanophenyl)sulfonylamino]acetic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)CNS(=O)(=O)C1=CC=CC=C1C#N

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)CNS(=O)(=O)C1=CC=CC=C1C#N

InChI

InChI=1S/C16H21N3O5S/c1-11(2)9-18-16(21)12(3)24-15(20)10-19-25(22,23)14-7-5-4-6-13(14)8-17/h4-7,11-12,19H,9-10H2,1-3H3,(H,18,21)/t12-/m0/s1