3-cyanopropyl 4-chloranyl-3-[(4-fluorophenyl)-prop-2-enyl-sulfamoyl]benzoate

Systemtic Name: 3-cyanopropyl 4-chloranyl-3-[(4-fluorophenyl)-prop-2-enyl-sulfamoyl]benzoate Openeye Name: 3-cyanopropyl 3-[allyl-(4-fluorophenyl)sulfamoyl]-4-chloro-benzoate CAS Name: 4-chloro-3-[(4-fluorophenyl)-prop-2-enylsulfamoyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-chloro-3-[(4-fluorophenyl)-prop-2-enylsulfamoyl]benzoate Traditional Name: 3-[allyl-(4-fluorophenyl)sulfamoyl]-4-chloro-benzoic acid 3-cyanopropyl ester Formula: C20H18ClFN2O4S MolecularWeight: 436.884323

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=C(C=C1)F)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCC#N)Cl

Isomeric SMILES

C=CCN(C1=CC=C(C=C1)F)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCC#N)Cl

InChI

InChI=1S/C20H18ClFN2O4S/c1-2-12-24(17-8-6-16(22)7-9-17)29(26,27)19-14-15(5-10-18(19)21)20(25)28-13-4-3-11-23/h2,5-10,14H,1,3-4,12-13H2