4-cyanobutyl 4-chloranyl-3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate

Systemtic Name: 4-cyanobutyl 4-chloranyl-3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate Openeye Name: 4-cyanobutyl 3-[allyl-(4-chlorophenyl)sulfamoyl]-4-chloro-benzoate CAS Name: 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoic acid 4-cyanobutyl ester IUPAC Name: 4-cyanobutyl 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate Traditional Name: 3-[allyl-(4-chlorophenyl)sulfamoyl]-4-chloro-benzoic acid 4-cyanobutyl ester Formula: C21H20Cl2N2O4S MolecularWeight: 467.3655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20Cl2N2O4S/c1-2-13-25(18-9-7-17(22)8-10-18)30(27,28)20-15-16(6-11-19(20)23)21(26)29-14-5-3-4-12-24/h2,6-11,15H,1,3-5,13-14H2