2-[[4-[methyl-(phenylmethyl)amino]-3-nitro-phenyl]sulfonylamino]ethyl-di(propan-2-yl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC=CC=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC(C)[NH+](CCNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC=CC=C2)[N+](=O)[O-])C(C)C

InChI

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