N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[(2S)-2-(4-morpholinyl)-2-thiophen-2-ylethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]-3-nitro-benzenesulfonamide Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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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)13-3-1-4-14(11-13)26(22,23)17-12-15(16-5-2-10-25-16)18-6-8-24-9-7-18/h1-5,10-11,15,17H,6-9,12H2/t15-/m0/s1