N-[(2S)-1-cyano-3-thiophen-2-yl-propan-2-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(2S)-1-cyano-3-thiophen-2-yl-propan-2-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1S)-1-(cyanomethyl)-2-(2-thienyl)ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[(2S)-1-cyano-3-thiophen-2-ylpropan-2-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-1-cyano-3-thiophen-2-ylpropan-2-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1S)-1-(cyanomethyl)-2-(2-thienyl)ethyl]-2-nitro-benzenesulfonamide Formula: C14H13N3O4S2 MolecularWeight: 351.40072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC(CC#N)CC2=CC=CS2

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N[C@@H](CC#N)CC2=CC=CS2

InChI

InChI=1S/C14H13N3O4S2/c15-8-7-11(10-12-4-3-9-22-12)16-23(20,21)14-6-2-1-5-13(14)17(18)19/h1-6,9,11,16H,7,10H2/t11-/m0/s1