3-cyanopropyl 2-bromanyl-5-[methoxy(methyl)sulfamoyl]benzoate

Systemtic Name: 3-cyanopropyl 2-bromanyl-5-[methoxy(methyl)sulfamoyl]benzoate Openeye Name: 3-cyanopropyl 2-bromo-5-[methoxy(methyl)sulfamoyl]benzoate CAS Name: 2-bromo-5-[methoxy(methyl)sulfamoyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-bromo-5-[methoxy(methyl)sulfamoyl]benzoate Traditional Name: 2-bromo-5-[methoxy(methyl)sulfamoyl]benzoic acid 3-cyanopropyl ester Formula: C13H15BrN2O5S MolecularWeight: 391.2376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN2O5S/c1-16(20-2)22(18,19)10-5-6-12(14)11(9-10)13(17)21-8-4-3-7-15/h5-6,9H,3-4,8H2,1-2H3