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

Systemtic Name: butyl 4-[(3-nitrophenyl)methylsulfonylamino]benzoate Openeye Name: butyl 4-[(3-nitrophenyl)methylsulfonylamino]benzoate CAS Name: 4-[(3-nitrophenyl)methylsulfonylamino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3-nitrophenyl)methylsulfonylamino]benzoate Traditional Name: 4-[(3-nitrobenzyl)sulfonylamino]benzoic acid butyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-2-3-11-26-18(21)15-7-9-16(10-8-15)19-27(24,25)13-14-5-4-6-17(12-14)20(22)23/h4-10,12,19H,2-3,11,13H2,1H3