3-cyanopropyl 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: 3-cyanopropyl 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: 3-cyanopropyl 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid 3-cyanopropyl ester Formula: C11H11ClN2O4S MolecularWeight: 302.73404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCCCC#N)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCCCC#N)S(=O)(=O)N)Cl

InChI

InChI=1S/C11H11ClN2O4S/c12-9-4-3-8(7-10(9)19(14,16)17)11(15)18-6-2-1-5-13/h3-4,7H,1-2,6H2,(H2,14,16,17)