[(1R)-2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazine-1-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine-1-carbonyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazine-1-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C20H28N5O6S2+ MolecularWeight: 498.59622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@@H](CNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CSC=C3

InChI

InChI=1S/C20H27N5O6S2/c1-22(2)18(15-6-11-32-14-15)13-21-20(26)23-7-9-24(10-8-23)33(29,30)16-4-5-19(31-3)17(12-16)25(27)28/h4-6,11-12,14,18H,7-10,13H2,1-3H3,(H,21,26)/p+1/t18-/m0/s1