(4-cyanophenyl)methyl 2-[(2-chloranyl-5-nitro-phenyl)sulfonylamino]benzoate

Systemtic Name: (4-cyanophenyl)methyl 2-[(2-chloranyl-5-nitro-phenyl)sulfonylamino]benzoate Openeye Name: (4-cyanophenyl)methyl 2-[(2-chloro-5-nitro-phenyl)sulfonylamino]benzoate CAS Name: 2-[(2-chloro-5-nitrophenyl)sulfonylamino]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[(2-chloro-5-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(2-chloro-5-nitro-phenyl)sulfonylamino]benzoic acid (4-cyanobenzyl) ester Formula: C21H14ClN3O6S MolecularWeight: 471.87036

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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=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClN3O6S/c22-18-10-9-16(25(27)28)11-20(18)32(29,30)24-19-4-2-1-3-17(19)21(26)31-13-15-7-5-14(12-23)6-8-15/h1-11,24H,13H2