6-[[3-[(2-chlorophenyl)sulfamoyl]-4-methyl-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3-[(2-chlorophenyl)sulfamoyl]-4-methyl-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[3-[(2-chlorophenyl)sulfamoyl]-4-methyl-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylanilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-[(2-chlorophenyl)sulfamoyl]-4-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)NC(=O)C2CC=CCC2C(=O)O)S(=O)(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC=CCC2C(=O)O)S(=O)(=O)NC3=CC=CC=C3Cl

InChI

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