[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(phenylsulfonylamino)propanoate

Systemtic Name: [(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(phenylsulfonylamino)propanoate Openeye Name: [(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(benzenesulfonamido)propanoate CAS Name: 3-(benzenesulfonamido)propanoic acid [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate Traditional Name: 3-(benzenesulfonamido)propionic acid [(1S)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCNS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCNS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H19N3O5S/c1-14(19(24)22-16-7-5-6-15(12-16)13-20)27-18(23)10-11-21-28(25,26)17-8-3-2-4-9-17/h2-9,12,14,21H,10-11H2,1H3,(H,22,24)/t14-/m0/s1