(4-cyanophenyl)methyl 4-chloranyl-3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate

Systemtic Name: (4-cyanophenyl)methyl 4-chloranyl-3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate Openeye Name: (4-cyanophenyl)methyl 4-chloro-3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate CAS Name: 4-chloro-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-chloro-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoate Traditional Name: 4-chloro-3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoic acid (4-cyanobenzyl) ester Formula: C22H16ClN3O7S MolecularWeight: 501.89634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C22H16ClN3O7S/c1-32-20-9-7-17(26(28)29)11-19(20)25-34(30,31)21-10-16(6-8-18(21)23)22(27)33-13-15-4-2-14(12-24)3-5-15/h2-11,25H,13H2,1H3