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

Systemtic Name: 4-cyanobutyl 2-chloranyl-5-[(4-methoxyphenyl)-prop-2-enyl-sulfamoyl]benzoate Openeye Name: 4-cyanobutyl 5-[allyl-(4-methoxyphenyl)sulfamoyl]-2-chloro-benzoate CAS Name: 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzoic acid 4-cyanobutyl ester IUPAC Name: 4-cyanobutyl 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate Traditional Name: 5-[allyl-(4-methoxyphenyl)sulfamoyl]-2-chloro-benzoic acid 4-cyanobutyl ester Formula: C22H23ClN2O5S MolecularWeight: 462.94642

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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)OCCCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O5S/c1-3-14-25(17-7-9-18(29-2)10-8-17)31(27,28)19-11-12-21(23)20(16-19)22(26)30-15-6-4-5-13-24/h3,7-12,16H,1,4-6,14-15H2,2H3