3-cyanopropyl 2-chloranyl-5-[(4-methoxyphenyl)-prop-2-enyl-sulfamoyl]benzoate

Systemtic Name: 3-cyanopropyl 2-chloranyl-5-[(4-methoxyphenyl)-prop-2-enyl-sulfamoyl]benzoate Openeye Name: 3-cyanopropyl 5-[allyl-(4-methoxyphenyl)sulfamoyl]-2-chloro-benzoate CAS Name: 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate Traditional Name: 5-[allyl-(4-methoxyphenyl)sulfamoyl]-2-chloro-benzoic acid 3-cyanopropyl ester Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC=C)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCCCC#N

Isomeric SMILES

COC1=CC=C(C=C1)N(CC=C)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCCCC#N

InChI

InChI=1S/C21H21ClN2O5S/c1-3-13-24(16-6-8-17(28-2)9-7-16)30(26,27)18-10-11-20(22)19(15-18)21(25)29-14-5-4-12-23/h3,6-11,15H,1,4-5,13-14H2,2H3