(4-cyanophenyl)methyl 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoate

Systemtic Name: (4-cyanophenyl)methyl 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoate Openeye Name: (4-cyanophenyl)methyl 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoate CAS Name: 5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate Traditional Name: 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoic acid (4-cyanobenzyl) ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H26N2O4S/c1-3-4-5-20-11-13-23(14-12-20)28-33(30,31)24-15-6-19(2)25(16-24)26(29)32-18-22-9-7-21(17-27)8-10-22/h6-16,28H,3-5,18H2,1-2H3