methyl 2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenoxy]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenoxy]-5-nitro-benzoate Openeye Name: methyl 2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenoxy]-5-nitro-benzoate CAS Name: 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-5-nitrobenzoate Traditional Name: 2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenoxy]-5-nitro-benzoic acid methyl ester Formula: C21H17FN2O7S MolecularWeight: 460.432283

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(C1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H17FN2O7S/c1-23(32(28,29)18-10-3-14(22)4-11-18)15-5-8-17(9-6-15)31-20-12-7-16(24(26)27)13-19(20)21(25)30-2/h3-13H,1-2H3