1-[2-oxidanylidene-2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino]ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-oxidanylidene-2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino]ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-oxo-2-[4-(thiazol-2-ylsulfamoyl)anilino]ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-oxo-2-[4-(2-thiazolylsulfamoyl)anilino]ethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-oxo-2-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]ethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-[4-(thiazol-2-ylsulfamoyl)anilino]ethyl]cycloheptanecarboxylic acid Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)O

InChI

InChI=1S/C19H23N3O5S2/c23-16(13-19(17(24)25)9-3-1-2-4-10-19)21-14-5-7-15(8-6-14)29(26,27)22-18-20-11-12-28-18/h5-8,11-12H,1-4,9-10,13H2,(H,20,22)(H,21,23)(H,24,25)