N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-2-nitro-benzenesulfonamide Openeye Name: N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[(2S)-2-(4-morpholinyl)-2-thiophen-2-ylethyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-nitrobenzenesulfonamide Traditional Name: N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]-2-nitro-benzenesulfonamide Formula: C16H19N3O5S2 MolecularWeight: 397.46916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C1COCCN1[C@@H](CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C16H19N3O5S2/c20-19(21)13-4-1-2-6-16(13)26(22,23)17-12-14(15-5-3-11-25-15)18-7-9-24-10-8-18/h1-6,11,14,17H,7-10,12H2/t14-/m0/s1