1-cyanoethyl 3-[(4-butylphenyl)sulfamoyl]benzoate

Systemtic Name: 1-cyanoethyl 3-[(4-butylphenyl)sulfamoyl]benzoate Openeye Name: 1-cyanoethyl 3-[(4-butylphenyl)sulfamoyl]benzoate CAS Name: 3-[(4-butylphenyl)sulfamoyl]benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 3-[(4-butylphenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-butylphenyl)sulfamoyl]benzoic acid 1-cyanoethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-3-4-6-16-9-11-18(12-10-16)22-27(24,25)19-8-5-7-17(13-19)20(23)26-15(2)14-21/h5,7-13,15,22H,3-4,6H2,1-2H3