1-[2-oxidanylidene-2-[[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]amino]ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-oxidanylidene-2-[[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]amino]ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-oxo-2-[4-[(3-sulfamoylphenyl)carbamoyl]anilino]ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-oxo-2-[4-[oxo-(3-sulfamoylanilino)methyl]anilino]ethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-oxo-2-[4-[(3-sulfamoylphenyl)carbamoyl]anilino]ethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-[4-[(3-sulfamoylphenyl)carbamoyl]anilino]ethyl]cycloheptanecarboxylic acid Formula: C23H27N3O6S MolecularWeight: 473.54198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C23H27N3O6S/c24-33(31,32)19-7-5-6-18(14-19)26-21(28)16-8-10-17(11-9-16)25-20(27)15-23(22(29)30)12-3-1-2-4-13-23/h5-11,14H,1-4,12-13,15H2,(H,25,27)(H,26,28)(H,29,30)(H2,24,31,32)