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

Systemtic Name: 6-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-[methyl-(phenylmethyl)sulfamoyl]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-24(15-16-7-3-2-4-8-16)30(28,29)18-13-11-17(12-14-18)23-21(25)19-9-5-6-10-20(19)22(26)27/h2-8,11-14,19-20H,9-10,15H2,1H3,(H,23,25)(H,26,27)