2-[[4-(4-ethanoylpiperazin-1-yl)-3-nitro-phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[4-(4-ethanoylpiperazin-1-yl)-3-nitro-phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[4-(4-acetylpiperazin-1-yl)-3-nitro-phenyl]sulfonylamino]ethyl-diisopropyl-ammonium CAS Name: 2-[[4-(4-acetyl-1-piperazinyl)-3-nitrophenyl]sulfonylamino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[4-(4-acetylpiperazin-1-yl)-3-nitrophenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[4-(4-acetylpiperazino)-3-nitro-phenyl]sulfonylamino]ethyl-diisopropyl-ammonium Formula: C20H34N5O5S+ MolecularWeight: 456.57946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC(C)[NH+](CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C20H33N5O5S/c1-15(2)24(16(3)4)9-8-21-31(29,30)18-6-7-19(20(14-18)25(27)28)23-12-10-22(11-13-23)17(5)26/h6-7,14-16,21H,8-13H2,1-5H3/p+1