pentyl 4-[(2-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: pentyl 4-[(2-nitrophenyl)sulfonylamino]benzoate Openeye Name: pentyl 4-[(2-nitrophenyl)sulfonylamino]benzoate CAS Name: 4-[(2-nitrophenyl)sulfonylamino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[(2-nitrophenyl)sulfonylamino]benzoate Traditional Name: 4-[(2-nitrophenyl)sulfonylamino]benzoic acid amyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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