methyl 4-methyl-3-[(3-nitrophenyl)methylsulfonylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[(3-nitrophenyl)methylsulfonylamino]benzoate Openeye Name: methyl 4-methyl-3-[(3-nitrophenyl)methylsulfonylamino]benzoate CAS Name: 4-methyl-3-[(3-nitrophenyl)methylsulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(3-nitrophenyl)methylsulfonylamino]benzoate Traditional Name: 4-methyl-3-[(3-nitrobenzyl)sulfonylamino]benzoic acid methyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S/c1-11-6-7-13(16(19)24-2)9-15(11)17-25(22,23)10-12-4-3-5-14(8-12)18(20)21/h3-9,17H,10H2,1-2H3