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

Systemtic Name: 2-[[4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-nitro-phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-nitro-phenyl]sulfonylamino]ethyl-diisopropyl-ammonium CAS Name: 2-[[4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-nitrophenyl]sulfonylamino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-nitrophenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[4-[4-(cyclopropanecarbonyl)piperazino]-3-nitro-phenyl]sulfonylamino]ethyl-diisopropyl-ammonium Formula: C22H36N5O5S+ MolecularWeight: 482.61674

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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)C3CC3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC(C)[NH+](CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CC3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C22H35N5O5S/c1-16(2)26(17(3)4)10-9-23-33(31,32)19-7-8-20(21(15-19)27(29)30)24-11-13-25(14-12-24)22(28)18-5-6-18/h7-8,15-18,23H,5-6,9-14H2,1-4H3/p+1