6-[[5-[(3-chlorophenyl)sulfamoyl]-2-methyl-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[5-[(3-chlorophenyl)sulfamoyl]-2-methyl-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[5-[(3-chlorophenyl)sulfamoyl]-2-methyl-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[5-[(3-chlorophenyl)sulfamoyl]-2-methylanilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[5-[(3-chlorophenyl)sulfamoyl]-2-methylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[5-[(3-chlorophenyl)sulfamoyl]-2-methyl-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl)NC(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl)NC(=O)C3CC=CCC3C(=O)O

InChI

InChI=1S/C21H21ClN2O5S/c1-13-9-10-16(30(28,29)24-15-6-4-5-14(22)11-15)12-19(13)23-20(25)17-7-2-3-8-18(17)21(26)27/h2-6,9-12,17-18,24H,7-8H2,1H3,(H,23,25)(H,26,27)