(4-cyanophenyl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: (4-cyanophenyl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: (4-cyanophenyl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid (4-cyanobenzyl) ester Formula: C21H15N3O6S MolecularWeight: 437.4253

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)C#N)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)C#N)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O6S/c22-13-15-8-10-16(11-9-15)14-30-21(25)19-6-1-2-7-20(19)23-31(28,29)18-5-3-4-17(12-18)24(26)27/h1-12,23H,14H2