1-[(1E,3E)-4-methylsulfanyl-2-nitro-3-(phenylsulfonyl)buta-1,3-dienyl]pyrrolidine

Systemtic Name: 1-[(1E,3E)-4-methylsulfanyl-2-nitro-3-(phenylsulfonyl)buta-1,3-dienyl]pyrrolidine Openeye Name: 1-[(1E,3E)-3-(benzenesulfonyl)-4-methylsulfanyl-2-nitro-buta-1,3-dienyl]pyrrolidine CAS Name: 1-[(1E,3E)-3-(benzenesulfonyl)-4-(methylthio)-2-nitrobuta-1,3-dienyl]pyrrolidine IUPAC Name: 1-[(1E,3E)-3-(benzenesulfonyl)-4-methylsulfanyl-2-nitrobuta-1,3-dienyl]pyrrolidine Traditional Name: 1-[(1E,3E)-3-besyl-4-(methylthio)-2-nitro-buta-1,3-dienyl]pyrrolidine Formula: C15H18N2O4S2 MolecularWeight: 354.44442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC=C(C(=CN1CCCC1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CS/C=C(\C(=C/N1CCCC1)\[N+](=O)[O-])/S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H18N2O4S2/c1-22-12-15(23(20,21)13-7-3-2-4-8-13)14(17(18)19)11-16-9-5-6-10-16/h2-4,7-8,11-12H,5-6,9-10H2,1H3/b14-11+,15-12+