[4-[(2-fluorophenyl)sulfonyl-methyl-amino]phenyl] 2,3-dimethyl-5-nitro-benzenesulfonate

Systemtic Name: [4-[(2-fluorophenyl)sulfonyl-methyl-amino]phenyl] 2,3-dimethyl-5-nitro-benzenesulfonate Openeye Name: [4-[(2-fluorophenyl)sulfonyl-methyl-amino]phenyl] 2,3-dimethyl-5-nitro-benzenesulfonate CAS Name: 2,3-dimethyl-5-nitrobenzenesulfonic acid [4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] 2,3-dimethyl-5-nitrobenzenesulfonate Traditional Name: 2,3-dimethyl-5-nitro-benzenesulfonic acid [4-[(2-fluorophenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C21H19FN2O7S2 MolecularWeight: 494.513163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C21H19FN2O7S2/c1-14-12-17(24(25)26)13-21(15(14)2)33(29,30)31-18-10-8-16(9-11-18)23(3)32(27,28)20-7-5-4-6-19(20)22/h4-13H,1-3H3