(1S)-2-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S)-2-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S)-2-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S)-2-[[4-[(4-ethoxyphenyl)sulfamoyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S)-2-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S)-2-[[4-(p-phenetylsulfamoyl)phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCC[C@@H]3C(=O)O

InChI

InChI=1S/C22H26N2O6S/c1-2-30-17-11-7-16(8-12-17)24-31(28,29)18-13-9-15(10-14-18)23-21(25)19-5-3-4-6-20(19)22(26)27/h7-14,19-20,24H,2-6H2,1H3,(H,23,25)(H,26,27)/t19?,20-/m0/s1