1-[4-[(2S)-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[(2S)-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[(2S)-2-hydroxy-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[(2S)-2-hydroxy-3-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]propyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[(2S)-2-hydroxy-3-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propyl]piperazino]ethanone Formula: C19H28N4O7S MolecularWeight: 456.51322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC(COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)N1CCN(CC1)C[C@@H](COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])O

InChI

InChI=1S/C19H28N4O7S/c1-15(24)21-10-8-20(9-11-21)13-16(25)14-30-19-5-4-17(12-18(19)23(26)27)31(28,29)22-6-2-3-7-22/h4-5,12,16,25H,2-3,6-11,13-14H2,1H3/t16-/m0/s1