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

Systemtic Name: methyl 2-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenoxy]-5-nitro-benzoate Openeye Name: methyl 2-[4-[methyl(p-tolylsulfonyl)amino]phenoxy]-5-nitro-benzoate CAS Name: 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-5-nitrobenzoate Traditional Name: 2-[4-[methyl(tosyl)amino]phenoxy]-5-nitro-benzoic acid methyl ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H20N2O7S/c1-15-4-11-19(12-5-15)32(28,29)23(2)16-6-9-18(10-7-16)31-21-13-8-17(24(26)27)14-20(21)22(25)30-3/h4-14H,1-3H3