[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-methoxy-5-sulfamoyl-benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-methoxy-5-sulfamoyl-benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-methoxy-5-sulfamoyl-benzoate CAS Name: 2-methoxy-5-sulfamoylbenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate Traditional Name: 2-methoxy-5-sulfamoyl-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C20H26N2O6S MolecularWeight: 422.49524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26N2O6S/c1-27-17-3-2-15(29(21,25)26)7-16(17)19(24)28-11-18(23)22-20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,22,23)(H2,21,25,26)