2-[[3-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]phenyl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[3-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]phenyl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[3-[(3-fluoro-4-methyl-phenyl)sulfonylamino]benzoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[3-[(3-fluoro-4-methyl-phenyl)sulfonylamino]benzoyl]amino]ethyl-diisopropyl-ammonium Formula: C22H31FN3O3S+ MolecularWeight: 436.563243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC[NH+](C(C)C)C(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC[NH+](C(C)C)C(C)C)F

InChI

InChI=1S/C22H30FN3O3S/c1-15(2)26(16(3)4)12-11-24-22(27)18-7-6-8-19(13-18)25-30(28,29)20-10-9-17(5)21(23)14-20/h6-10,13-16,25H,11-12H2,1-5H3,(H,24,27)/p+1