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

Systemtic Name: 2-[[4-[(4-methylphenyl)methylamino]-3-nitro-phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[[3-nitro-4-(p-tolylmethylamino)phenyl]sulfonylamino]ethyl]ammonium CAS Name: 2-[[4-[(4-methylphenyl)methylamino]-3-nitrophenyl]sulfonylamino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[4-[(4-methylphenyl)methylamino]-3-nitrophenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[[4-[(4-methylbenzyl)amino]-3-nitro-phenyl]sulfonylamino]ethyl]ammonium Formula: C22H33N4O4S+ MolecularWeight: 449.58682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+](C(C)C)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+](C(C)C)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H32N4O4S/c1-16(2)25(17(3)4)13-12-24-31(29,30)20-10-11-21(22(14-20)26(27)28)23-15-19-8-6-18(5)7-9-19/h6-11,14,16-17,23-24H,12-13,15H2,1-5H3/p+1