methyl 2-[1-(4-methylsulfonylphenyl)ethylamino]-5-nitro-benzoate

Systemtic Name: methyl 2-[1-(4-methylsulfonylphenyl)ethylamino]-5-nitro-benzoate Openeye Name: methyl 2-[1-(4-methylsulfonylphenyl)ethylamino]-5-nitro-benzoate CAS Name: 2-[1-(4-methylsulfonylphenyl)ethylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[1-(4-methylsulfonylphenyl)ethylamino]-5-nitrobenzoate Traditional Name: 2-[1-(4-mesylphenyl)ethylamino]-5-nitro-benzoic acid methyl ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H18N2O6S/c1-11(12-4-7-14(8-5-12)26(3,23)24)18-16-9-6-13(19(21)22)10-15(16)17(20)25-2/h4-11,18H,1-3H3