2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)ethanamide

Systemtic Name: 2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)ethanamide Openeye Name: N,N-diisopropyl-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-N,N-di(propan-2-yl)acetamide IUPAC Name: 2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide Traditional Name: N,N-diisopropyl-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H31N4O6S+ MolecularWeight: 443.53764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O6S/c1-14(2)22(15(3)4)19(24)13-20-8-10-21(11-9-20)30(27,28)16-6-7-18(29-5)17(12-16)23(25)26/h6-7,12,14-15H,8-11,13H2,1-5H3/p+1