2-[[3-nitro-4-[2-(pyrazin-2-ylamino)ethylamino]phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[3-nitro-4-[2-(pyrazin-2-ylamino)ethylamino]phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[[3-nitro-4-[2-(pyrazin-2-ylamino)ethylamino]phenyl]sulfonylamino]ethyl]ammonium CAS Name: 2-[[3-nitro-4-[2-(2-pyrazinylamino)ethylamino]phenyl]sulfonylamino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[3-nitro-4-[2-(pyrazin-2-ylamino)ethylamino]phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[[3-nitro-4-[2-(pyrazin-2-ylamino)ethylamino]phenyl]sulfonylamino]ethyl]ammonium Formula: C20H32N7O4S+ MolecularWeight: 466.57758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNS(=O)(=O)C1=CC(=C(C=C1)NCCNC2=NC=CN=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC(C)[NH+](CCNS(=O)(=O)C1=CC(=C(C=C1)NCCNC2=NC=CN=C2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C20H31N7O4S/c1-15(2)26(16(3)4)12-11-25-32(30,31)17-5-6-18(19(13-17)27(28)29)22-9-10-24-20-14-21-7-8-23-20/h5-8,13-16,22,25H,9-12H2,1-4H3,(H,23,24)/p+1