(4-cyano-2-ethoxy-phenyl) 4-(cyclopropylsulfamoyl)benzenesulfonate

Systemtic Name: (4-cyano-2-ethoxy-phenyl) 4-(cyclopropylsulfamoyl)benzenesulfonate Openeye Name: (4-cyano-2-ethoxy-phenyl) 4-(cyclopropylsulfamoyl)benzenesulfonate CAS Name: 4-(cyclopropylsulfamoyl)benzenesulfonic acid (4-cyano-2-ethoxyphenyl) ester IUPAC Name: (4-cyano-2-ethoxyphenyl) 4-(cyclopropylsulfamoyl)benzenesulfonate Traditional Name: 4-(cyclopropylsulfamoyl)benzenesulfonic acid (4-cyano-2-ethoxy-phenyl) ester Formula: C18H18N2O6S2 MolecularWeight: 422.47532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3CC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3CC3

InChI

InChI=1S/C18H18N2O6S2/c1-2-25-18-11-13(12-19)3-10-17(18)26-28(23,24)16-8-6-15(7-9-16)27(21,22)20-14-4-5-14/h3,6-11,14,20H,2,4-5H2,1H3