3-cyanopropyl 4-[methyl(phenyl)sulfamoyl]benzoate

Systemtic Name: 3-cyanopropyl 4-[methyl(phenyl)sulfamoyl]benzoate Openeye Name: 3-cyanopropyl 4-[methyl(phenyl)sulfamoyl]benzoate CAS Name: 4-[methyl(phenyl)sulfamoyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-[methyl(phenyl)sulfamoyl]benzoate Traditional Name: 4-[methyl(phenyl)sulfamoyl]benzoic acid 3-cyanopropyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCC#N

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCC#N

InChI

InChI=1S/C18H18N2O4S/c1-20(16-7-3-2-4-8-16)25(22,23)17-11-9-15(10-12-17)18(21)24-14-6-5-13-19/h2-4,7-12H,5-6,14H2,1H3