3-cyanopropyl 3-[(4-butylphenyl)sulfamoyl]benzoate

Systemtic Name: 3-cyanopropyl 3-[(4-butylphenyl)sulfamoyl]benzoate Openeye Name: 3-cyanopropyl 3-[(4-butylphenyl)sulfamoyl]benzoate CAS Name: 3-[(4-butylphenyl)sulfamoyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-[(4-butylphenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-butylphenyl)sulfamoyl]benzoic acid 3-cyanopropyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-2-3-7-17-10-12-19(13-11-17)23-28(25,26)20-9-6-8-18(16-20)21(24)27-15-5-4-14-22/h6,8-13,16,23H,2-5,7,15H2,1H3