methyl 3-[methyl-[1-(4-methylsulfonylphenyl)ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[methyl-[1-(4-methylsulfonylphenyl)ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[methyl-[1-(4-methylsulfonylphenyl)ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[methyl-[1-(4-methylsulfonylphenyl)ethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[1-(4-mesylphenyl)ethyl-methyl-carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O7S/c1-12(13-5-7-17(8-6-13)29(4,26)27)20(2)18(22)14-9-15(19(23)28-3)11-16(10-14)21(24)25/h5-12H,1-4H3