[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C23H25N3O5S2 MolecularWeight: 487.5917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C23H25N3O5S2/c24-33(29,30)17-8-6-7-16(13-17)25-20(27)15-31-22(28)23(11-4-1-5-12-23)14-21-26-18-9-2-3-10-19(18)32-21/h2-3,6-10,13H,1,4-5,11-12,14-15H2,(H,25,27)(H2,24,29,30)